Difenoxin

CAS Registry Number®

28782-42-5
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CAS Name

Difenoxin

Molecular Formula

C28H28N2O2

Molecular Mass

424.53

Cite this Page

Difenoxin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28782-42-5 (retrieved 2024-05-18) (CAS RN: 28782-42-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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)

InChIKey

InChIKey=UFIVBRCCIRTJTN-UHFFFAOYSA-N

SMILES

C(CCN1CCC(C(O)=O)(CC1)C2=CC=CC=C2)(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

Canonical SMILES

N#CC(C=1C=CC=CC1)(C=2C=CC=CC2)CCN3CCC(C(=O)O)(C=4C=CC=CC4)CC3

Other Names for this Substance

  • 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-
  • Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-
  • 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid
  • Diphenoxylic acid
  • Difenoxin

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