Dihexyverine
Basic information
- CAS
561-77-3- Standard SMILES
O=C(OCCN1CCCCC1)C1(C2CCCCC2)CCCCC1- InChIKey
MNSQDVCVWNXBFQ-UHFFFAOYSA-N- Molecular formula
- C20H35NO2
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.26677936
Overview
Dihexyverine is a member of piperidines.
Names & identifiers
- Preferred name
- Dihexyverine
- IUPAC
- 2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate
- English name
- Dihexyverine
- Molecular formula
- C20H35NO2
- Molecular weight
- 321.5
Names & synonyms
DihexyverineDihexiverineDihexiverinaMetaspasSpasmolevelDihexyverine [INN]561-77-3DihexyverinumDihexyverinum [INN-Latin]Dihexiverina [INN-Spanish]UNII-J2FQ66RU9WJ2FQ66RU9W
Show more names
2-piperidin-1-ylethyl 1-cyclohexylcyclohexane-1-carboxylate1-cyclohexylcyclohexanecarboxylic acid 2-piperidinoethyl ester[1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(1-piperidinyl)ethyl ester[1,1'-Bicyclohexane]-1-carboxylic acid 2-(1-piperidinyl)ethyl ester
2-Piperidinoethyl ester of bicyclohexyl-1-carboxylic acidBRN 0247822Dihexyverine (INN)DIHEXYVERINE [MI]DIHEXYVERINE [WHO-DD]2-Piperidinoethyl bicyclohexan-1-carboxylatDTXSID802046454-20-00-00409 (Beilstein Handbook Reference)
Database identifiers
- CAS
561-77-3- PubChem CID
- 21788
- DTXSID
DTXSID80204645- ChEMBL
CHEMBL2110912- ChEBI
CHEBI:135367- UNII
- J2FQ66RU9W
- Nikkaji
- J6.497A
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 200 °C · 200 °C
- Boiling point
- 428.6 · 428.6±28.0 °C(Predicted)
- Density
- 1.028 · 1.028±0.06 g/cm3(Predicted)
- pka
- 8.29 · 8.29±0.10(Predicted)
- FDA UNII
- 2 FQ66RU9W · J2FQ66RU9W
- Comptox DTXSID
- 80204645 · DTXSID80204645
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Applications
UsesAnticholinergic.
Additional notes
DefinitionChEBI: Dihexyverine is a member of piperidines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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