Basic information
- CAS
47806-92-8- Standard SMILES
N#CC(CCN1CCC(C(=O)ON2C(=O)CCC2=O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1- InChIKey
FTOLAXZXUUHQQX-UHFFFAOYSA-N- Molecular formula
- C32H31N3O4
- Average molar mass
- 521.6 g/mol
- Monoisotopic mass
- 521.23145648
Overview
Difenoximide is a small molecule drug. Difenoximide has a monoisotopic molecular weight of 521.23 Da.
Names & identifiers
- Preferred name
- Difenoximide
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
- English name
- Difenoximide
- Molecular formula
- C32H31N3O4
- Molecular weight
- 0
Names & synonyms
DIFENOXIMIDEDifenoximidaDifenoximidum47806-92-88UG1323C03DTXSID901972961-Piperidinebutanenitrile, 4-(((2,5-dioxo-1-pyrrolidinyl)oxy)carbonyl)-alpha,alpha,4-triphenyl-RefChem:133557n-hydroxysuccinimide diphenoxylateDTXCID00119787Difenoximide [INN]1-Piperidinebutanenitrile,4-[[(2,5-dioxo-1-pyrrolidinyl)oxy]carbonyl]-a,a,4-triphenyl-
Show more names
N-[[1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotoyl]oxy]succinimideN-[1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carbonyloxy]succinimideN-[[[1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinyl]carbonyl]oxy]succinimide
UNII-8UG1323C03(2,5-dioxopyrrolidin-1-yl) 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylateSCHEMBL1818240CHEMBL2110913FTOLAXZXUUHQQX-UHFFFAOYSA-NN-((-1-(3-Cyano-3,3-diphenylpropyl)-4-phenylisonipecotoyl)oxy)succinimide4-(((2,5-Dioxo-1-pyrrolidinyl)oxy)carbonyl)-alpha,alpha,4-triphenyl-1-piperidinebutanenitrile2,5-DIOXOPYRROLIDIN-1-YL 1-(3-CYANO-3,3-DIPHENYLPROPYL)-4-PHENYLPIPERIDINE-4-CARBOXYLATE
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 894
Physicochemical properties
- FDA UNII
- 8 UG1323C03 · 8UG1323C03
Chemistry & industry
Applications
UsesAntiperistaltic.
Related reactions
2 records
Compound notes
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