diazepam   Click here for help

GtoPdb Ligand ID: 3364

Synonyms: Diastat® | LA-III | Valium® | WY-3467
Approved drug PDB Ligand
diazepam is an approved drug (FDA (1986))
Compound class: Synthetic organic
Comment: Diazepam is a benzodiazepine drug with long acting anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 32.67
Molecular weight 284.07
XLogP 2.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1
Isomeric SMILES Clc1ccc2c(c1)C(=NCC(=O)N2C)c1ccccc1
InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChI Key AAOVKJBEBIDNHE-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1986))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
International Nonproprietary Names Click here for help
INN number INN
1295 diazepam
Synonyms Click here for help
Diastat® | LA-III | Valium® | WY-3467
Database Links Click here for help
CAS Registry No. 439-14-5 (source: Scifinder)
ChEMBL Ligand CHEMBL12
DrugBank Ligand DB00829
DrugCentral Ligand 852
GtoPdb PubChem SID 178100389
PubChem CID 3016
RCSB PDB Ligand DZP
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Wikipedia Diazepam

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Tocris
Diazepam
Cat. No. 2805