Chemical Properties of Difenoxin (CAS 28782-42-5)

Difenoxin

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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
Formula
C28H28N2O2
SMILES
N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
Molecular Weight1
424.53
CAS
28782-42-5
Other Names
  • Isonipecotic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-
  • Diphenoxin
  • Difenoxine
  • Diphenoxylic acid
  • 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-
  • 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid
  • Difenoxilic acid
  • Difenoxylic acid
  • Lyspafen
  • McN-JR-15403-11
  • 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid
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Physical Properties

Property Value Unit Source
log10WS -5.73 Crippen Calculated Property
logPoct/wat 5.005 Crippen Calculated Property
McVol 342.040 ml/mol McGowan Calculated Property

Similar Compounds

Diphenoxylate. Butorphanol di-TMS derivative. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. Tazettine. Glyceollin III, TMS. Noscapine. Glyceollin V, TMS. Hydrastine. Retroisosenine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Retroisosensine. DILTIAZEM, M(ODESMETHYL-), AC. Diltiazem. 13«beta»-Acetoxyanagyrine.

Find more compounds similar to Difenoxin.

Sources

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