Difenoximide Hydrochloride
Basic information
- CAS
37800-79-6- Standard SMILES
Cl.N#CC(CCN1CCC(C(=O)ON2C(=O)CCC2=O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1- InChIKey
PAVHWTIATNTNMG-UHFFFAOYSA-N- Molecular formula
- C32H32ClN3O4
- Average molar mass
- 558.1 g/mol
- Monoisotopic mass
- 557.2081342
Overview
See also: Difenoximide (has active moiety).
Names & identifiers
- Preferred name
- Difenoximide Hydrochloride
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
- English name
- Difenoximide
- Molecular formula
- C32H32ClN3O4
- Molecular weight
- 558.06718
Names & synonyms
Difenoximide hydrochlorideDifenoximide HCl37800-79-6Difenoximide hydrochloride [USAN]SC-26100UNII-6GEY4W769K6GEY4W769KDifenoximide hydrochloride (USAN)N-((1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotoyl)oxy)succinimide monohydrochloride1-PIPERIDINEBUTANENITRILE, 4-(((2,5-DIOXO-1-PYRROLIDINYL)OXY)CARBONYL)-.ALPHA.,.ALPHA.,4-TRIPHENYL-, MONOHYDROCHLORIDE1-Piperidinebutanenitrile, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-alpha,alpha,4-triphenyl-, monohydrochlorideN-[[1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotoyl]oxy]succinimide monohydrochloride
Show more names
Difenoximide
RefChem:133558(2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydrochlorideSC 26100SCHEMBL121671CHEMBL2106639DTXSID10958846D03808Q27264869
Properties
Computed structural properties
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 894
Physicochemical properties
- FDA UNII
- 6 GEY4W769K · 6GEY4W769K
Chemistry & industry
Applications
UsesAntiperistaltic.
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Related reactions
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Compound notes
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