difenoxin   Click here for help

GtoPdb Ligand ID: 7592

Synonyms: difenoxin hydrochloride | MCN-JR-15,403-11 | Motofen® | R-15403
Approved drug
difenoxin is an approved drug (FDA (1978))
Compound class: Synthetic organic
Comment: Difenoxin is an active metabolite of diphenoxylate.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 64.33
Molecular weight 424.22
XLogP 5.55
No. Lipinski's rules broken 1
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Canonical SMILES N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)O)c1ccccc1
Isomeric SMILES N#CC(c1ccccc1)(c1ccccc1)CCN1CCC(CC1)(C(=O)O)c1ccccc1
InChI InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1978))
IUPAC Name Click here for help
1-[3-cyano-3,3-di(phenyl)propyl]-4-phenylpiperidine-4-carboxylic acid
International Nonproprietary Names Click here for help
INN number INN
2903 difenoxin
Synonyms Click here for help
difenoxin hydrochloride | MCN-JR-15,403-11 | Motofen® | R-15403
Database Links Click here for help
CAS Registry No. 28782-42-5
ChEMBL Ligand CHEMBL1201321
DrugBank Ligand DB01501
DrugCentral Ligand 878
GtoPdb PubChem SID 223365927
PubChem CID 34328
Search Google for chemical match using the InChIKey UFIVBRCCIRTJTN-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey UFIVBRCCIRTJTN-UHFFFAOYSA-N
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Wikipedia Difenoxin