chlordiazepoxide

Ligand id: 3370

Name: chlordiazepoxide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 50.46
Molecular weight 299.08
XLogP 3.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1960))
IUPAC Name
7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine
International Nonproprietary Names
INN number INN
1049 chlordiazepoxide
Synonyms
chlordiazepoxide HCl | Librium® | Lygen®
Database Links
CAS Registry No. 58-25-3 (source: Drugbank)
ChEBI CHEBI:3611
ChEMBL Ligand CHEMBL451
DrugBank Ligand DB00475
GtoPdb PubChem SID 178100393
PubChem CID 2712
Search Google for chemical match using the InChIKey ANTSCNMPPGJYLG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ANTSCNMPPGJYLG
Search PubMed clinical trials chlordiazepoxide
Search PubMed titles chlordiazepoxide
Search PubMed titles/abstracts chlordiazepoxide
Search UniChem for chemical match using the InChIKey ANTSCNMPPGJYLG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ANTSCNMPPGJYLG
Wikipedia Chlordiazepoxide
Comments
Chlordiazepoxide is a benzodiazepine drug. The structure shown here is the same as that shown in the INN document for this compound. However, chlordiazepoxide is also commonly represented in the literature with the structure shown by CID 2712.