Difenoxin hydrochloride

Base Information

• Chemical Name: Difenoxin hydrochloride
• CAS No.: 35607-36-4
• Molecular Formula: C28H28 N2 O2 . Cl H
• Molecular Weight: 460.99506
• European Community (EC) Number: 252-640-7
• UNII: VQZ63K01IW
• DSSTox Substance ID: DTXSID30956985
• Wikidata: Q27126898
• NCI Thesaurus Code: C47487
• RXCUI: 235373
• ChEMBL ID: CHEMBL1200599
• Mol file: 35607-36-4.mol

Synonyms:difenoxin;difenoxin hydrochloride;difenoxin hydrochloride, 14C-labeled;diphenoxylic acid

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Chemical Property of Difenoxin hydrochloride

Chemical Property:

• Vapor Pressure: 7.04E-17mmHg at 25°C
• Boiling Point: 632.7°Cat760mmHg
• Flash Point: 336.5°C
• PSA: 64.33000
• Density: 1.175g/cm³
• LogP: 5.74468
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 460.1917559
• Heavy Atom Count: 33
• Complexity: 636

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl