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
Ligand families/groups Benzodiazepine class drugs
Approved drug? Yes (FDA (1986))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
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
Specialist databases
GPCRdb Ligand diazepam
Other databases
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
Search Google for chemical match using the InChIKey AAOVKJBEBIDNHE-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey AAOVKJBEBIDNHE-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey AAOVKJBEBIDNHE-UHFFFAOYSA-N
Wikipedia Diazepam

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Tocris
Diazepam (links to external site)
Cat. No. 2805