1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid hydrochloride
Basic information
- CAS
35607-36-4- Standard SMILES
N#CC(CC[NH+]1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.[Cl-]- InChIKey
VMIZTXDGZPTKIK-UHFFFAOYSA-N- Molecular formula
- C28H29ClN2O2
- Average molar mass
- 461 g/mol
- Monoisotopic mass
- 460.1917559
Overview
Difenoxin hydrochloride is the hydrochloride salt of difenoxin. It has similar actions and uses to diphenoxylate hydrochloride, being administered for the symptomatic treatment of acute and chronic diarrhoea. In an attempt to discourage abuse (at high doses, difenoxin acts like morphine), preparations usually contain subclinical amounts of atropine sulfate. It has a role as an antidiarrhoeal drug. It contains a difenoxin.
Names & identifiers
- Preferred name
- 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid hydrochloride
- IUPAC
- 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylic acid chloride
Names & synonyms
1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylic acid;chloride1-(3-cyano-3,3-diphenylpropyl)-4-phenylisonipecotic acid hydrochloride4-carboxy-1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidinium chloride1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylic acid hydrochloride
Database identifiers
- CAS
35607-36-4- PubChem CID
- 37193
- ChEBI
CHEBI:59790
Properties
Computed structural properties
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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