Chem
J-GLOBAL ID:200907090751648641
Nikkaji number:J21.376D
Difenoxin
ジフェノキシン
Download MOL file
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:
C28 H28 N2 O2
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
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