Basic information
- CAS
54063-45-5- Standard SMILES
N#CC(CCN1CCC(C(=O)OCCOc2ccccc2)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1- InChIKey
KISQOVVPIHYLRD-UHFFFAOYSA-N- Molecular formula
- C36H36N2O3
- Average molar mass
- 544.7 g/mol
- Monoisotopic mass
- 544.27259301
Overview
Fetoxylate is a small molecule drug. Fetoxylate has a monoisotopic molecular weight of 544.27 Da.
Names & identifiers
- Preferred name
- Fetoxilate
- IUPAC
- 2-phenoxyethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate
- English name
- 1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid 2-phenoxyethyl ester
- Molecular formula
- C36H36N2O3
- Molecular weight
- 544.68
Names & synonyms
FETOXILATEFETOXYLATEFetoxilate [INN:BAN]fetoxilatoUNII-3791SET69Y3791SET69YFETOXILATE [INN]FETOXILATE [WHO-DD]DTXSID102023914-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, 2-phenoxyethyl ester2-PHENOXYETHYL 1-(3-CYANO-3,3-DIPHENYLPROPYL)-4-PHENYLISONIPECOTATEfetoxilatum
Show more names
RefChem:140352DTXCID1012488254063-45-52-phenoxyethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate1-(3-Cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidinecarboxylic acid 2-phenoxyethyl esterSCHEMBL1815870CHEMBL2110871DB-290671
Database identifiers
- CAS
54063-45-5- PubChem CID
- 32027
- DTXSID
DTXSID10202391- ChEMBL
CHEMBL2110871- UNII
- 3791SET69Y
- Nikkaji
- J12.418D
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 814
Physicochemical properties
- FDA UNII
- 3791 SET69Y · 3791SET69Y
Chemistry & industry
Applications
UsesRelaxant (smooth muscle).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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