CHEBI:59790 - difenoxin hydrochloride

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ChEBI Name difenoxin hydrochloride
ChEBI ID CHEBI:59790
Definition The hydrochloride salt of difenoxin. It has similar actions and uses to diphenoxylate hydrochloride, being administered for the symptomatic treatment of acute and chronic diarrhoea. In an attempt to discourage abuse (at high doses, difenoxin acts like morphine), preparations usually contain subclinical amounts of atropine sulfate.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H29ClN2O2
Net Charge 0
Average Mass 460.99500
Monoisotopic Mass 460.19176
InChI InChI=1S/C28H28N2O2.ClH/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);1H
InChIKey VMIZTXDGZPTKIK-UHFFFAOYSA-N
SMILES [Cl-].OC(=O)C1(CC[NH+](CC1)CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccc1
Roles Classification
Application(s): antidiarrhoeal drug
Any drug found useful in the symptomatic treatment of diarrhoea.
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ChEBI Ontology
Outgoing difenoxin hydrochloride (CHEBI:59790) has part difenoxin (CHEBI:4534)
difenoxin hydrochloride (CHEBI:59790) has role antidiarrhoeal drug (CHEBI:55323)
difenoxin hydrochloride (CHEBI:59790) is a hydrochloride (CHEBI:36807)
IUPAC Name
4-carboxy-1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidinium chloride
Synonyms Sources
1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid hydrochloride ChEBI
1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid hydrochloride IUPAC
difenoxin HCl ChemIDplus
diphenoxylic acid hydrochloride ChemIDplus
Registry Number Type Source
35607-36-4 CAS Registry Number ChemIDplus
Last Modified
19 July 2010