Basic information
- CAS
3810-80-8- Standard SMILES
CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.[Cl-].[H+]- InChIKey
SHTAFWKOISOCBI-UHFFFAOYSA-N- Molecular formula
- C30H33ClN2O2
- Average molar mass
- 489 g/mol
- Monoisotopic mass
- 488.223056
Overview
See also: Diphenoxylate Hydrochloride (preferred); Diphenoxylate (has active moiety); Atropine Sulfate; Diphenoxylate Hydrochloride (component of).
Names & identifiers
- Preferred name
- Ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydron;chloride
- IUPAC
- ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;hydron;chloride
Database identifiers
- CAS
3810-80-8- PubChem CID
- 53630037
Properties
Computed structural properties
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 666
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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