diazepam   

GtoPdb Ligand ID: 3364

Synonyms: Diastat® | LA-III | Valium® | WY-3467
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
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
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
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
7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
International Nonproprietary Names
INN number INN
1295 diazepam
Synonyms
Diastat® | LA-III | Valium® | WY-3467
Database Links
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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Diazepam
Cat. No. 2805