chlordiazepoxide   Click here for help

GtoPdb Ligand ID: 3370

Synonyms: chlordiazepoxide HCl | Librium® | Lygen®
Approved drug
chlordiazepoxide is an approved drug (FDA (1960))
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 50.46
Molecular weight 299.08
XLogP 2.36
No. Lipinski's rules broken 0
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Canonical SMILES CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl
Isomeric SMILES CNC1=Nc2ccc(cc2C(=[N+](C1)[O-])c1ccccc1)Cl
InChI InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Benzodiazepine class drugs
Approved drug? Yes (FDA (1960))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1049 chlordiazepoxide
Synonyms Click here for help
chlordiazepoxide HCl | Librium® | Lygen®
Database Links Click here for help
Specialist databases
GPCRdb Ligand chlordiazepoxide
Other databases
CAS Registry No. 58-25-3 (source: Drugbank)
DrugBank Ligand DB00475
DrugCentral Ligand 594
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
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Search PubMed titles/abstracts chlordiazepoxide
UniChem Compound Search for chemical match using the InChIKey ANTSCNMPPGJYLG-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ANTSCNMPPGJYLG-UHFFFAOYSA-N
Wikipedia Chlordiazepoxide