Butaverine
Basic information
- CAS
55837-14-4- Standard SMILES
CCCCOC(=O)CC(c1ccccc1)N1CCCCC1- InChIKey
WQDZHQZKJMNOAY-UHFFFAOYSA-N- Molecular formula
- C18H27NO2
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.2041791
Overview
Butaverine is a fatty acid ester.
Names & identifiers
- Preferred name
- Butaverine
- IUPAC
- butyl 3-phenyl-3-piperidin-1-ylpropanoate
- English name
- Butaverine
- Molecular formula
- C18H27NO2
- Molecular weight
- 289.41
Names & synonyms
Butaverine55837-14-4ButaverinaBUTAMIVERINEbutyl 3-phenyl-3-piperidin-1-ylpropanoate1I5O5WIU8XButyl 3-phenyl-3-(1-piperidyl)propionateButaverinumButaverine [INN:DCF]UNII-1I5O5WIU8XButyl 3-phenyl-3-piperidinopropionatBUTYL 3-PHENYL-3-(PIPERIDIN-1-YL)PROPANOATE
Show more names
1-Piperidinepropanoic acid, β-phenyl-, butyl ester3-Phenyl-3-(1-piperidyl)propionic acid butyl ester
BUTAVERINE [MI]BUTAVERINE [INN]3-Piperidino-3-phenyl-propionsaeure-butylesterNCIOpen2_009609SCHEMBL24501orb2564688CHEMBL2106025BUTAVERINE, (+/-)-
Database identifiers
- CAS
55837-14-4- PubChem CID
- 189889
- DTXSID
DTXSID80866505- ChEMBL
CHEMBL2106025- ChEBI
CHEBI:135203- UNII
- 1I5O5WIU8X
- Nikkaji
- J11.037J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- FDA UNII
- 1 I5O5WIU8X · 1I5O5WIU8X
Chemistry & industry
Applications
UsesButaverine is an antispasmodic compound[1].
Additional notes
DefinitionChEBI: Butaverine is a fatty acid ester.
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Compound notes
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