Diphenoxylate

CAS Registry Number®

915-30-0
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CAS Name

Diphenoxylate

Molecular Formula

C30H32N2O2

Molecular Mass

452.59

Cite this Page

Diphenoxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=915-30-0 (retrieved 2024-04-24) (CAS RN: 915-30-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H32N2O2/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

InChIKey

InChIKey=HYPPXZBJBPSRLK-UHFFFAOYSA-N

SMILES

C(CCN1CCC(C(OCC)=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)OCC)(C=4C=CC=CC4)CC3

Other Names for this Substance

  • 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester
  • Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, ethyl ester
  • 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid ethyl ester
  • Diphenoxylate

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