CHEBI:59784 - diphenoxylate hydrochloride

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ChEBI Name diphenoxylate hydrochloride
ChEBI ID CHEBI:59784
Definition The hydrochloride salt of diphenoxylate.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C30H33ClN2O2
Net Charge 0
Average Mass 489.04800
Monoisotopic Mass 488.22306
InChI InChI=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
InChIKey SHTAFWKOISOCBI-UHFFFAOYSA-N
SMILES [Cl-].CCOC(=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 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 Sources
1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid ethyl ester hydrochloride ChemIDplus
4-ethoxycarbonyl-α,α,4-triphenyl-1-piperidinebutyronitrile hydrochloride NIST Chemistry WebBook
diphenoxylate HCl ChemIDplus
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotate monohydrochloride ChemIDplus
ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride IUPAC
Manual Xrefs Databases
D03860 KEGG DRUG
DB01081 DrugBank
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Registry Numbers Types Sources
3810-80-8 CAS Registry Number NIST Chemistry WebBook
3810-80-8 CAS Registry Number ChemIDplus
6260600 Beilstein Registry Number Beilstein
Last Modified
09 May 2011
General Comment
2011-05-09 A synthetic derivative of meperidine with little or no analgesic activity, diphenoxylate hydrochloride reduces intestinal motility and is used in the symptomatic treatment of acute and chronic diarrhoea; its active metabolite is the corresponding carboxylic acid, difenoxin. In an attempt to discourage abuse (at high doses, diphenoxylate acts like morphine), preparations usually contain subclinical amounts of atropine sulfate.