List of Related Excipient Companies and Suppliers of Difenoxin Hydrochloride on PharmaCompass.com

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Chemistry

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Also known as: 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylic acid;chloride, Chebi:59790, 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid hydrochloride, 4-carboxy-1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidinium chloride, 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid hydrochloride
Molecular Formula
C28H29ClN2O2
Molecular Weight
461.0  g/mol
InChI Key
VMIZTXDGZPTKIK-UHFFFAOYSA-N

Difenoxin Hydrochloride
1 2D Structure

Difenoxin Hydrochloride

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylic acid;chloride
2.1.2 InChI
InChI=1S/C28H28N2O2.ClH/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);1H
2.1.3 InChI Key
VMIZTXDGZPTKIK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1C[NH+](CCC1(C2=CC=CC=C2)C(=O)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylic Acid;chloride

2. Chebi:59790

3. 1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic Acid Hydrochloride

4. 4-carboxy-1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidinium Chloride

5. 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic Acid Hydrochloride

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 461.0 g/mol
Molecular Formula C28H29ClN2O2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass460.1917559 g/mol
Monoisotopic Mass460.1917559 g/mol
Topological Polar Surface Area65.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

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