Basic information
- CAS
3810-80-8- Standard SMILES
CCOC(=O)C1(c2ccccc2)CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1.[Cl-]- InChIKey
SHTAFWKOISOCBI-UHFFFAOYSA-N- Molecular formula
- C30H33ClN2O2
- Average molar mass
- 489 g/mol
- Monoisotopic mass
- 488.223056
Overview
Diphenoxylate hydrochloride is the hydrochloride salt of diphenoxylate. It has a role as an antidiarrhoeal drug. It contains a diphenoxylate.
Names & identifiers
- Preferred name
- Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate hydrochloride
- IUPAC
- ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate chloride
Names & synonyms
1-(3-cyano-3,3-diphenylpropyl)-4-(ethoxycarbonyl)-4-phenylpiperidinium chloride4-ethoxycarbonyl-alpha,alpha,4-triphenyl-1-piperidinebutyronitrile hydrochloride
Database identifiers
- CAS
3810-80-8- PubChem CID
- 19650
- ChEBI
CHEBI:59784
Properties
Computed structural properties
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 666
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…