Chem
J-GLOBAL ID:200907090751648641   Nikkaji number:J21.376D

Difenoxin

ジフェノキシン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C28H28N2O2
Molecular formula furigana: C28-H28-N2-O2
Molecular weight: 424.544
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)
InChI key: UFIVBRCCIRTJTN-UHFFFAOYSA-N
SMILES: OC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Systematic name  (3):
  • 1-(3-シアノ-3,3-ジフェニルプロピル)-4-フェニル-4-ピペリジンカルボン酸
  • 1-(3-シアノ-3,3-ジフェニルプロピル)-4-フェニルピペリジン-4-カルボン酸
  • 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid
Other name (4):
  • ジフェノキシン
  • Difenoxin
  • McN-JR-15403-11
  • 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid
CAS registry number: 28782-42-5
KEGG DRUG: D03809
KEGG COMPOUND: C07871
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