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CHEBI:59790 - difenoxin hydrochloride

ChEBI IDCHEBI:59790
ChEBI Namedifenoxin hydrochloride
Stars
DefinitionThe 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.
Last Modified19 July 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H29N2O2.Cl
Net Charge0
Average Mass461.005
Monoisotopic Mass460.19176
SMILESN#CC(CC[NH+]1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=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
InChIKeyVMIZTXDGZPTKIK-UHFFFAOYSA-N
Roles Classification
Application:
antidiarrhoeal drug  Any drug found useful in the symptomatic treatment of diarrhoea.
ChEBI Ontology
Outgoing Relation(s)
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  Source
difenoxin HClChemIDplus
1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid hydrochlorideIUPAC
diphenoxylic acid hydrochlorideChemIDplus
1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid hydrochlorideChEBI
Registry NumbersSources
CAS:35607-36-4ChemIDplus