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Chemistry

Mol. Mass

424.54

ALogP

5.0

Rule of 5

No

Rule of 3

No
Details
  • SMILES: N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
  • InChIKey: UFIVBRCCIRTJTN-UHFFFAOYSA-N
    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)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201321   ChEMBL
difenoxin *

CHEMBL1200599   ChEMBL
difenoxin hydrochloride

VQZ63K01IW   NCATS
difenoxin hydrochloride *

Difenoxin   Wikipedia

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