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Substance Name: Difenoxin [USAN:INN:BAN]
RN: 28782-42-5
UNII: 3ZZ5BJ9F2Q
InChIKey: UFIVBRCCIRTJTN-UHFFFAOYSA-N

Note

  • Was EP to DIPHENOXYLATE (77-81).

Molecular Formula

  • C28-H28-N2-O2

Molecular Weight

  • 424.5412
 

Classification Codes

Classification Codes

  • Antiperistaltic
  • Drug / Therapeutic Agent

Superlist Classification Codes

  • DEA Schedule I
  • DEA Schedule IV
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Names and Synonyms

Name of Substance

  • Difenoxin
  • Difenoxin [USAN:INN:BAN]

Synonyms

  • 1-(3-Cyan-3,3-diphenylpropyl)-4-phenyl-4-piperidincarbonsaeure
  • 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid
  • Difenossina
  • Difenossina [DCIT]
  • Difenoxin
  • Difenoxina
  • Difenoxina [INN-Spanish]
  • Difenoxine
  • Difenoxinum
  • Difenoxinum [INN-Latin]
  • Diphenoxin
  • Diphenoxylic acid
  • McN-JR 15,403-11
  • McN-JR-15,403-11
  • Motofen
  • R 15,403 [as hydrochloride]
  • UNII-3ZZ5BJ9F2Q

Systematic Names

  • 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-
  • Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-

Superlist Names

  • DEA No. 9168
  • Difenoxin

Registry Numbers

CAS Registry Number

  • 28782-42-5

FDA UNII

  • 3ZZ5BJ9F2Q

Related Registry Number

  • 35607-36-4 (hydrochloride)

System Generated Number

  • 0028782425

Structure Descriptors

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

UFIVBRCCIRTJTN-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C2(CCN(CC2)CCC(C#N)(c3ccccc3)c4ccccc4)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 149mg/kg (149mg/kg)   Drug Development Research. Vol. 1, Pg. 1, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.990 (none)   EST
Atmospheric OH Rate Constant 1.16E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.