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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (20) Show 20 proteins XML

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 15:16:49 UTC

Update Date

2022-03-07 02:51:35 UTC

HMDB ID

HMDB0014332

Secondary Accession Numbers

HMDB14332

Metabolite Identification

Common Name

Lorazepam

Description

Lorazepam is only found in individuals that have used or taken this drug. It is a benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent. [PubChem]Lorazepam binds to an allosteric site on GABA-A receptors, which are pentameric ionotropic receptors in the CNS. Binding potentiates the effects of the inhibitory neurotransmitter GABA, which upon binding opens the chloride channel in the receptor, allowing chloride influx and causing hyperpolerization of the neuron.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0014332
     RDKit          3D
Lorazepam
 31 33  0  0  0  0  0  0  0  0999 V2000
   -3.1081   -2.8916   -0.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -1.8172   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4154   -1.3677    0.9837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864   -0.1559    1.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306    0.4812    2.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    1.7181    2.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6295    2.2792    2.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660    3.8308    2.4819 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987    1.6304    0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6438    0.3826    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068   -0.1977   -0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    0.0137   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801   -0.1873   -2.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1898   -0.1768   -2.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1119    0.0473   -1.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153    0.2449   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469    0.2209    0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9808    0.2166    2.0066 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476   -0.8297   -1.4682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -1.0870   -1.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2887   -1.8424   -2.7205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8464   -1.8691    1.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373    0.0084    2.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0841    2.2448    3.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6911    1.9852    0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1421   -0.3626   -2.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368   -0.3327   -3.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607    0.0566   -1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530    0.4217    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796   -0.1647   -1.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9946   -2.4998   -2.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 11 19  2  0
 19 20  1  0
 20 21  1  0
 20  2  1  0
 10  4  1  0
 17 12  1  0
  3 22  1  0
  5 23  1  0
  6 24  1  0
  9 25  1  0
 13 26  1  0
 14 27  1  0
 15 28  1  0
 16 29  1  0
 20 30  1  0
 21 31  1  0
M  END

186
  Mrv0541 02231214302D          

 21 23  0  0  1  0            999 V2000
    2.5467   -2.3783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6080   -1.4841    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8811    2.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3403    2.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838    0.9518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0375    0.9518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1106   -0.2105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8540    0.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3674    0.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4989   -0.3669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5231    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1881   -1.0663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981    1.5968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4818   -1.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3760   -1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2669   -0.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0210   -1.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9120   -0.5799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890   -1.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 17  1  0  0  0  0
  3 11  1  0  0  0  0
  4 13  2  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0014332

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2

> <INCHI_IDENTIFIER>
InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)

> <INCHI_KEY>
DIWRORZWFLOCLC-UHFFFAOYSA-N

> <FORMULA>
C15H10Cl2N2O2

> <MOLECULAR_WEIGHT>
321.158

> <EXACT_MASS>
320.011932988

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
30.334841164498854

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one

> <ALOGPS_LOGP>
2.98

> <JCHEM_LOGP>
3.527325488

> <ALOGPS_LOGS>
-4.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.461590649872107

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.606301472079005

> <JCHEM_PKA_STRONGEST_BASIC>
-2.2363530659722866

> <JCHEM_POLAR_SURFACE_AREA>
61.69

> <JCHEM_REFRACTIVITY>
82.6992

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.76e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
lorazepam

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0014332
     RDKit          3D
Lorazepam
 31 33  0  0  0  0  0  0  0  0999 V2000
   -3.1081   -2.8916   -0.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -1.8172   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4154   -1.3677    0.9837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864   -0.1559    1.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306    0.4812    2.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    1.7181    2.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6295    2.2792    2.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660    3.8308    2.4819 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987    1.6304    0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6438    0.3826    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068   -0.1977   -0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    0.0137   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801   -0.1873   -2.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1898   -0.1768   -2.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1119    0.0473   -1.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153    0.2449   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469    0.2209    0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9808    0.2166    2.0066 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476   -0.8297   -1.4682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -1.0870   -1.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2887   -1.8424   -2.7205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8464   -1.8691    1.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373    0.0084    2.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0841    2.2448    3.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6911    1.9852    0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1421   -0.3626   -2.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368   -0.3327   -3.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607    0.0566   -1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530    0.4217    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796   -0.1647   -1.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9946   -2.4998   -2.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 11 19  2  0
 19 20  1  0
 20 21  1  0
 20  2  1  0
 10  4  1  0
 17 12  1  0
  3 22  1  0
  5 23  1  0
  6 24  1  0
  9 25  1  0
 13 26  1  0
 14 27  1  0
 15 28  1  0
 16 29  1  0
 20 30  1  0
 21 31  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 186                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Cl   UNK     0       4.754  -4.439   0.000  0.00  0.00          Cl+0
HETATM    2 Cl   UNK     0       6.735  -2.770   0.000  0.00  0.00          Cl+0
HETATM    3  O   UNK     0       7.245   4.368   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       4.369   4.368   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0       4.076   1.777   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0       7.537   1.777   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       5.806  -0.393   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.194   0.275   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.419   0.275   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.398  -0.685   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.576   2.981   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.951  -1.990   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.036   2.981   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.080  -0.608   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.633  -2.904   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.188  -2.208   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.169  -2.208   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.832  -0.122   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.373  -3.168   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.036  -1.082   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.806  -2.605   0.000  0.00  0.00           C+0
CONECT    1   15                                                            
CONECT    2   17                                                            
CONECT    3   11                                                            
CONECT    4   13                                                            
CONECT    5    9   13                                                       
CONECT    6    8   11                                                       
CONECT    7    8    9   12                                                  
CONECT    8    6    7   10                                                  
CONECT    9    5    7   14                                                  
CONECT   10    8   17   18                                                  
CONECT   11    3    6   13                                                  
CONECT   12    7   15                                                       
CONECT   13    4    5   11                                                  
CONECT   14    9   16                                                       
CONECT   15    1   12   16                                                  
CONECT   16   14   15                                                       
CONECT   17    2   10   19                                                  
CONECT   18   10   20                                                       
CONECT   19   17   21                                                       
CONECT   20   18   21                                                       
CONECT   21   19   20                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   46    0
END

COMPND    HMDB0243733
HETATM    1  O1  UNL     1      -3.067  -2.972  -1.185  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.401  -2.079  -0.647  1.00  0.00           C  
HETATM    3  N1  UNL     1      -2.778  -0.732  -1.021  1.00  0.00           N  
HETATM    4  C2  UNL     1      -2.133   0.409  -0.434  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.986   1.476  -0.313  1.00  0.00           C  
HETATM    6  C4  UNL     1      -2.552   2.616   0.333  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.255   2.617   0.833  1.00  0.00           C  
HETATM    8 CL1  UNL     1      -0.672   4.052   1.654  1.00  0.00          CL  
HETATM    9  C6  UNL     1      -0.380   1.560   0.725  1.00  0.00           C  
HETATM   10  C7  UNL     1      -0.840   0.435   0.069  1.00  0.00           C  
HETATM   11  C8  UNL     1       0.198  -0.577  -0.024  1.00  0.00           C  
HETATM   12  C9  UNL     1       1.572  -0.207  -0.215  1.00  0.00           C  
HETATM   13  C10 UNL     1       2.029   1.027  -0.505  1.00  0.00           C  
HETATM   14  C11 UNL     1       3.387   1.373  -0.591  1.00  0.00           C  
HETATM   15  C12 UNL     1       4.314   0.386  -0.369  1.00  0.00           C  
HETATM   16  C13 UNL     1       3.900  -0.884  -0.074  1.00  0.00           C  
HETATM   17  C14 UNL     1       2.573  -1.182   0.003  1.00  0.00           C  
HETATM   18 CL2  UNL     1       2.044  -2.799   0.378  1.00  0.00          CL  
HETATM   19  N2  UNL     1      -0.090  -1.853   0.083  1.00  0.00           N  
HETATM   20  C15 UNL     1      -1.339  -2.552   0.286  1.00  0.00           C  
HETATM   21  O2  UNL     1      -1.840  -2.458   1.574  1.00  0.00           O  
HETATM   22  H1  UNL     1      -3.518  -0.550  -1.699  1.00  0.00           H  
HETATM   23  H2  UNL     1      -3.986   1.443  -0.714  1.00  0.00           H  
HETATM   24  H3  UNL     1      -3.198   3.496   0.453  1.00  0.00           H  
HETATM   25  H4  UNL     1       0.608   1.541   1.174  1.00  0.00           H  
HETATM   26  H5  UNL     1       1.368   1.838  -0.766  1.00  0.00           H  
HETATM   27  H6  UNL     1       3.670   2.386  -0.826  1.00  0.00           H  
HETATM   28  H7  UNL     1       5.375   0.670  -0.439  1.00  0.00           H  
HETATM   29  H8  UNL     1       4.678  -1.627   0.092  1.00  0.00           H  
HETATM   30  H9  UNL     1      -1.165  -3.617   0.065  1.00  0.00           H  
HETATM   31  H10 UNL     1      -1.516  -3.237   2.098  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   20
CONECT    3    4   22
CONECT    4    5    5   10
CONECT    5    6   23
CONECT    6    7    7   24
CONECT    7    8    9
CONECT    9   10   10   25
CONECT   10   11
CONECT   11   12   19   19
CONECT   12   13   13   17
CONECT   13   14   26
CONECT   14   15   15   27
CONECT   15   16   28
CONECT   16   17   17   29
CONECT   17   18
CONECT   19   20
CONECT   20   21   30
CONECT   21   31
END

HMDB0014332
     RDKit          3D
Lorazepam
 31 33  0  0  0  0  0  0  0  0999 V2000
   -3.1081   -2.8916   -0.5429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5512   -1.8172   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4154   -1.3677    0.9837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6864   -0.1559    1.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306    0.4812    2.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    1.7181    2.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6295    2.2792    2.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0660    3.8308    2.4819 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0987    1.6304    0.9976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6438    0.3826    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068   -0.1977   -0.5073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4089    0.0137   -0.6953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8801   -0.1873   -2.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1898   -0.1768   -2.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1119    0.0473   -1.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153    0.2449   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3469    0.2209    0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9808    0.2166    2.0066 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6476   -0.8297   -1.4682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0691   -1.0870   -1.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2887   -1.8424   -2.7205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8464   -1.8691    1.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0373    0.0084    2.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0841    2.2448    3.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6911    1.9852    0.3407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1421   -0.3626   -2.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5368   -0.3327   -3.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1607    0.0566   -1.6242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4530    0.4217    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6796   -0.1647   -1.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9946   -2.4998   -2.4911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 11 19  2  0
 19 20  1  0
 20 21  1  0
 20  2  1  0
 10  4  1  0
 17 12  1  0
  3 22  1  0
  5 23  1  0
  6 24  1  0
  9 25  1  0
 13 26  1  0
 14 27  1  0
 15 28  1  0
 16 29  1  0
 20 30  1  0
 21 31  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Ativan	Kegg
(+/-)-lorazepam	HMDB
O-Chlorooxazepam	HMDB
O-Chloroxazepam	HMDB
AHP brand OF lorazepam	MeSH, HMDB
apo Lorazepam	MeSH, HMDB
Llorens brand OF lorazepam	MeSH, HMDB
Lorazepam ahp brand	MeSH, HMDB
Lorazepam baxter brand	MeSH, HMDB
Lorazepam medical	MeSH, HMDB
Lorazepam medix brand	MeSH, HMDB
Lorazepam wyeth brand	MeSH, HMDB
Lorazepam neuraxpharm brand	MeSH, HMDB
Lorazepam ratiopharm brand	MeSH, HMDB
Medix brand OF lorazepam	MeSH, HMDB
novo Lorazem	MeSH, HMDB
novo-Lorazem	MeSH, HMDB
Novopharm brand OF lorazepam	MeSH, HMDB
Lorazep von CT	MeSH, HMDB
Neuraxpharm brand OF lorazepam	MeSH, HMDB
Ratiopharm brand OF lorazepam	MeSH, HMDB
Dolorgiet brand OF lorazepam	MeSH, HMDB
Duralozam	MeSH, HMDB
Laubeel	MeSH, HMDB
Lorazepam apotex brand	MeSH, HMDB
Lorazepam desitin brand	MeSH, HMDB
Lorazepam CT-arzneimittel brand	MeSH, HMDB
Lorazepam-ratiopharm	MeSH, HMDB
Merck dura brand OF lorazepam	MeSH, HMDB
Nu-loraz	MeSH, HMDB
Riemser brand OF lorazepam	MeSH, HMDB
Serra pamies brand OF lorazepam	MeSH, HMDB
Sinestron	MeSH, HMDB
Temesta	MeSH, HMDB
Tolid	MeSH, HMDB
Wyeth, orfidal	MeSH, HMDB
CT Arzneimittel brand OF lorazepam	MeSH, HMDB
ApoLorazepam	MeSH, HMDB
Baxter brand OF lorazepam	MeSH, HMDB
Idalprem	MeSH, HMDB
Lorazepam dolorgiet brand	MeSH, HMDB
Lorazepam medical brand	MeSH, HMDB
Lorazepam novartis brand	MeSH, HMDB
Lorazepam riemser brand	MeSH, HMDB
Lorazepam ratiopharm	MeSH, HMDB
Lorazepam-neuraxpharm	MeSH, HMDB
Medical brand OF lorazepam	MeSH, HMDB
Medical, lorazepam	MeSH, HMDB
NovoLorazem	MeSH, HMDB
Nu loraz	MeSH, HMDB
Orfidal wyeth	MeSH, HMDB
Somagerol	MeSH, HMDB
apo-Lorazepam	MeSH, HMDB
Apotex brand OF lorazepam	MeSH, HMDB
Desitin brand OF lorazepam	MeSH, HMDB
Donix	MeSH, HMDB
Durazolam	MeSH, HMDB
Lorazepam llorens brand	MeSH, HMDB
Lorazepam novopharm brand	MeSH, HMDB
Lorazepam nu-pharm brand	MeSH, HMDB
Lorazepam neuraxpharm	MeSH, HMDB
Novartis brand OF lorazepam	MeSH, HMDB
Nu pharm brand OF lorazepam	MeSH, HMDB
Nu-pharm brand OF lorazepam	MeSH, HMDB
NuLoraz	MeSH, HMDB
Sedicepan	MeSH, HMDB
Wyeth brand OF lorazepam	MeSH, HMDB
CT-Arzneimittel brand OF lorazepam	MeSH, HMDB
Von CT, lorazep	MeSH, HMDB

Chemical Formula

C₁₅H₁₀Cl₂N₂O₂

Average Molecular Weight

321.158

Monoisotopic Molecular Weight

320.011932988

IUPAC Name

7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one

Traditional Name

lorazepam

CAS Registry Number

846-49-1

SMILES

OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2

InChI Identifier

InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)13(19-15(21)14(20)18-12)9-3-1-2-4-11(9)17/h1-7,15,21H,(H,18,20)

InChI Key

DIWRORZWFLOCLC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzodiazepines

Sub Class

1,4-benzodiazepines

Direct Parent

1,4-benzodiazepines

Alternative Parents

Substituents

1,4-benzodiazepine
Alpha-amino acid or derivatives
Chlorobenzene
Halobenzene
Aryl chloride
Aryl halide
Monocyclic benzene moiety
Benzenoid
Carboxamide group
Ketimine
Secondary carboxylic acid amide
Lactam
Alkanolamine
Carboxylic acid derivative
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Imine
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Organopnictogen compound
Organooxygen compound
Organohalogen compound
Organochloride
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21059682)

Excreta

Biofluid or Excreta

Urine (PMID: 21059682)

Cellular substructure

Cytoplasm (HMDB: HMDB0014332)
Membrane (HMDB: HMDB0014332)

Source

Exogenous

Exogenous (HMDB: HMDB0014332)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	166 - 168 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.018 g/L	Not Available
LogP	3.5	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	CBM	165.8	30932474

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.018 g/L	ALOGPS
logP	2.98	ALOGPS
logP	3.53	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	10.61	ChemAxon
pKa (Strongest Basic)	-2.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	61.69 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	82.7 m³·mol⁻¹	ChemAxon
Polarizability	30.33 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	166.527	30932474
DeepCCS	[M-H]-	164.169	30932474
DeepCCS	[M-2H]-	197.055	30932474
DeepCCS	[M+Na]+	172.62	30932474
AllCCS	[M+H]+	168.3	32859911
AllCCS	[M+H-H2O]+	164.8	32859911
AllCCS	[M+NH4]+	171.6	32859911
AllCCS	[M+Na]+	172.5	32859911
AllCCS	[M-H]-	164.9	32859911
AllCCS	[M+Na-2H]-	164.2	32859911
AllCCS	[M+HCOO]-	163.4	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	5.17 minutes	32390414
Predicted by Siyang on May 30, 2022	15.0123 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	1.16 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	29.8 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lorazepam	OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2	4211.0	Standard polar	33892256
Lorazepam	OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2	2435.5	Standard non polar	33892256
Lorazepam	OC1N=C(C2=CC=CC=C2Cl)C2=C(NC1=O)C=CC(Cl)=C2	2746.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lorazepam,1TMS,isomer #1	C[Si](C)(C)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2NC1=O	2753.9	Semi standard non polar	33892256
Lorazepam,1TMS,isomer #2	C[Si](C)(C)N1C(=O)C(O)N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C21	2571.4	Semi standard non polar	33892256
Lorazepam,2TMS,isomer #1	C[Si](C)(C)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2N([Si](C)(C)C)C1=O	2591.1	Semi standard non polar	33892256
Lorazepam,2TMS,isomer #1	C[Si](C)(C)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2N([Si](C)(C)C)C1=O	2612.5	Standard non polar	33892256
Lorazepam,2TMS,isomer #1	C[Si](C)(C)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2N([Si](C)(C)C)C1=O	3526.9	Standard polar	33892256
Lorazepam,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2NC1=O	2909.3	Semi standard non polar	33892256
Lorazepam,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N1C(=O)C(O)N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C21	2785.7	Semi standard non polar	33892256
Lorazepam,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2N([Si](C)(C)C(C)(C)C)C1=O	2932.6	Semi standard non polar	33892256
Lorazepam,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2N([Si](C)(C)C(C)(C)C)C1=O	3001.7	Standard non polar	33892256
Lorazepam,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1N=C(C2=CC=CC=C2Cl)C2=CC(Cl)=CC=C2N([Si](C)(C)C(C)(C)C)C1=O	3593.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Lorazepam EI-B (Non-derivatized)	splash10-009i-6791000000-942b7493f1e9fc3d12be	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Lorazepam EI-B (Non-derivatized)	splash10-009i-6791000000-942b7493f1e9fc3d12be	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lorazepam GC-MS (Non-derivatized) - 70eV, Positive	splash10-004u-0290000000-b7b54d40e4a40249fc2d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lorazepam GC-MS (1 TMS) - 70eV, Positive	splash10-00b9-9235000000-97d74a04d7ec48e6bb28	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lorazepam GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lorazepam GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lorazepam GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lorazepam GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lorazepam GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-002r-4981000000-a567f7beb26ee18d061c	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-qTof , Positive-QTOF	splash10-00b9-0298000000-986499cda13643ef7d85	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , negative-QTOF	splash10-001i-0091000000-04730f82e569df7febdd	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , negative-QTOF	splash10-001i-0390000000-dd63d93f2fa81cbb5928	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , negative-QTOF	splash10-0udi-0930000000-3ecf1f2f10049a3cfee2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , negative-QTOF	splash10-0udi-0910000000-95d23a9a121bf45ef8bf	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , negative-QTOF	splash10-0udi-0900000000-cdbe26e697f259770c28	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , negative-QTOF	splash10-0udi-0900000000-4046d54b4dd9bf7968be	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , negative-QTOF	splash10-001i-0091000000-abaf38ed3aa6e7d51245	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QTOF , positive-QTOF	splash10-052b-9000000000-dda683413448d0461123	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , positive-QTOF	splash10-00di-0009000000-53bbea620bd1e8b49eb3	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , positive-QTOF	splash10-0fb9-0095000000-793565a97e3afc2ce858	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , positive-QTOF	splash10-004i-0090000000-41097b8a64363c5e2f94	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , positive-QTOF	splash10-004i-0290000000-a0694111a3943eca2b53	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , positive-QTOF	splash10-004i-0690000000-5a4728cb7e2473fc6b3c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , positive-QTOF	splash10-01rf-0940000000-39d041fbab4fb67a5c41	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam , positive-QTOF	splash10-00b9-0298000000-986499cda13643ef7d85	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam LC-ESI-QFT , positive-QTOF	splash10-00b9-0196000000-2e53b39b27c66ec73fd2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam 30V, Positive-QTOF	splash10-004i-0090000000-4b5b5c3dfb63873733bf	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lorazepam -1V, Positive-QTOF	splash10-052b-9000000000-dda683413448d0461123	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lorazepam 10V, Positive-QTOF	splash10-00di-0029000000-ee07ef7d365d458f9d34	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lorazepam 20V, Positive-QTOF	splash10-00di-0239000000-5c6908c1fea1275fb874	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lorazepam 40V, Positive-QTOF	splash10-0zfr-1981000000-3701b2aca45eeea63d62	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lorazepam 10V, Negative-QTOF	splash10-014i-0009000000-58ac02858c22990ff345	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lorazepam 20V, Negative-QTOF	splash10-014i-0339000000-f3e5eccf9c4e49dcfbcf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lorazepam 40V, Negative-QTOF	splash10-000i-3490000000-6b141b0755058109e70a	2016-08-03	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00186	21059682	details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00186	21059682	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details

Abnormal Concentrations

Not Available

Predicted Concentrations

Biospecimen	Value	Original age	Original sex	Original condition	Comments
Blood	0.000 uM	Adult (>18 years old)	Both	Normal	Predicted based on drug qualities
Blood	0.000 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Predicted based on drug qualities

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

3821

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Heisterkamp DV, Cohen PJ: The effect of intravenous premedication with lorazepam (ativan), pentobarbitone or diazepam on recall. Br J Anaesth. 1975 Jan;47(1):79-81. [PubMed:238548 ]
Milligan DW, Howard MR, Judd A: Premedication with lorazepam before bone marrow biopsy. J Clin Pathol. 1987 Jun;40(6):696-8. [PubMed:3611398 ]
Lader M: Short-term versus long-term benzodiazepine therapy. Curr Med Res Opin. 1984;8 Suppl 4:120-6. [PubMed:6144459 ]
Kemper N, Poser W, Poser S: [Benzodiazepine dependence: addiction potential of the benzodiazepines is greater than previously assumed (author's transl)]. Dtsch Med Wochenschr. 1980 Dec 5;105(49):1707-12. [PubMed:7439058 ]
Maltais F, Laberge F, Laviolette M: A randomized, double-blind, placebo-controlled study of lorazepam as premedication for bronchoscopy. Chest. 1996 May;109(5):1195-8. [PubMed:8625666 ]
(). FDA label . .

Only showing the first 10 proteins. There are 20 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Gamma-aminobutyric acid receptor subunit gamma-2

General function:: Involved in ion transport
Specific function:: GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:: GABRG2
Uniprot ID:: P18507
Molecular weight:: 54161.8

References

Enzyme Details

2. Translocator protein

General function:: Signal transduction mechanisms
Specific function:: Responsible for the manifestation of peripheral-type benzodiazepine recognition sites and is most likely to comprise binding domains for benzodiazepines and isoquinoline carboxamides. May play a role in the transport of porphyrins and heme. Plays a role in the transport of cholesterol across mitochondrial membranes in steroidogenic cells
Gene Name:: TSPO
Uniprot ID:: P30536
Molecular weight:: 18778.7

References

Enzyme Details

3. Gamma-aminobutyric acid receptor subunit alpha-1

General function:: Involved in ion transport
Specific function:: GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:: GABRA1
Uniprot ID:: P14867
Molecular weight:: 51801.4

References

Enzyme Details

4. Gamma-aminobutyric acid receptor subunit alpha-2

General function:: Involved in ion transport
Specific function:: GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:: GABRA2
Uniprot ID:: P47869
Molecular weight:: 51325.9

References

Enzyme Details

5. Gamma-aminobutyric acid receptor subunit alpha-3

General function:: Involved in ion transport
Specific function:: GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:: GABRA3
Uniprot ID:: P34903
Molecular weight:: 55164.1

References

Enzyme Details

6. Gamma-aminobutyric acid receptor subunit alpha-4

General function:: Involved in ion transport
Specific function:: GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:: GABRA4
Uniprot ID:: P48169
Molecular weight:: 61622.6

References

Enzyme Details

7. Gamma-aminobutyric acid receptor subunit alpha-5

General function:: Involved in ion transport
Specific function:: GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:: GABRA5
Uniprot ID:: P31644
Molecular weight:: 52145.6

References

Enzyme Details

8. Gamma-aminobutyric acid receptor subunit alpha-6

General function:: Involved in ion transport
Specific function:: GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:: GABRA6
Uniprot ID:: Q16445
Molecular weight:: 51023.7

References

Enzyme Details

9. Gamma-aminobutyric acid receptor subunit beta-1

General function:: Involved in ion transport
Specific function:: GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:: GABRB1
Uniprot ID:: P18505
Molecular weight:: 54234.1

References

Enzyme Details

10. Gamma-aminobutyric acid receptor subunit beta-2

General function:: Involved in ion transport
Specific function:: GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:: GABRB2
Uniprot ID:: P47870
Molecular weight:: 59149.9

References

Only showing the first 10 proteins. There are 20 proteins in total.

Show all enzymes and transporters

Showing metabocard for Lorazepam (HMDB0014332)

MOL for HMDB0014332 (Lorazepam)

3D MOL for HMDB0014332 (Lorazepam)

3D SDF for HMDB0014332 (Lorazepam)

3D-SDF for HMDB0014332 (Lorazepam)

PDB for HMDB0014332 (Lorazepam)

3D PDB for HMDB0014332 (Lorazepam)

SMILES for HMDB0014332 (Lorazepam)

INCHI for HMDB0014332 (Lorazepam)

Structure for HMDB0014332 (Lorazepam)

3D Structure for HMDB0014332 (Lorazepam)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

References

References

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