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CHEBI:59784 - diphenoxylate hydrochloride

ChEBI IDCHEBI:59784
ChEBI Namediphenoxylate hydrochloride
Stars
DefinitionThe hydrochloride salt of diphenoxylate.
Last Modified9 May 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H33N2O2.Cl
Net Charge0
Average Mass489.059
Monoisotopic Mass488.22306
SMILESCCOC(=O)C1(c2ccccc2)CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C30H32N2O2.ClH/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;/h3-17H,2,18-23H2,1H3;1H
InChIKeySHTAFWKOISOCBI-UHFFFAOYSA-N
Roles Classification
Application:
antidiarrhoeal drug  Any drug found useful in the symptomatic treatment of diarrhoea.
ChEBI Ontology
Outgoing Relation(s)
diphenoxylate hydrochloride (CHEBI:59784) has part diphenoxylate (CHEBI:4639)
diphenoxylate hydrochloride (CHEBI:59784) has role antidiarrhoeal drug (CHEBI:55323)
diphenoxylate hydrochloride (CHEBI:59784) is a hydrochloride (CHEBI:36807)
IUPAC Name 
1-(3-cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride
Synonyms  Source
1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochlorideChemIDplus
diphenoxylate HClChemIDplus
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochlorideChemIDplus
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochlorideIUPAC
4-ethoxycarbonyl-α,α,4-triphenyl-1-piperidinebutyronitrile hydrochlorideNIST Chemistry WebBook
Manual XrefsDatabases
DB01081DrugBank
D03860KEGG DRUG
Registry NumbersSources
Beilstein:6260600Beilstein
CAS:3810-80-8ChemIDplus
CAS:3810-80-8NIST Chemistry WebBook