Basic information
- CAS
10457-91-7- Standard SMILES
O=C(CCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccc(F)cc1- InChIKey
LZFSKNPPWIFMFL-UHFFFAOYSA-N- Molecular formula
- C22H22ClF4NO2
- Average molar mass
- 443.9 g/mol
- Monoisotopic mass
- 443.1275193
Overview
Seperidol is a small molecule drug. Seperidol has a monoisotopic molecular weight of 443.13 Da.
Names & identifiers
- Preferred name
- Seperidol
- IUPAC
- 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
- English name
- clofluperol
- Molecular formula
- C22H22ClF4NO2
- Molecular weight
- 443.86
Names & synonyms
ClofluperolSEPERIDOL10457-91-7ClofluperolumN57F04DIDQDTXSID901465624-(4-(4-Chloro-3-(trifluoromethyl)phenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanoneRefChem:127044DTXCID90690534-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-oneClofluperidol1-Butanone, 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-
Show more names
γ-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl]-4'-fluorobutyrophenone4-[4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)-1-butanone
4-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-1-(4-fluorophenyl)butan-1-oneClofluperol [INN:BAN]UNII-N57F04DIDQClofluperolum [INN-Latin]1-BUTANONE, 4-(4-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)-4-HYDROXY-1-PIPERIDINYL)-1-(4-FLUOROPHENYL)-CLOFLUPEROL [INN]SCHEMBL124937CHEMBL2111071
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 572
Experimental & physicochemical properties
LogP2.86
Physicochemical properties
- Boiling point
- 539.5 · 539.5±50.0 °C(Predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Predicted)
- pka
- 13.48 · 13.48±0.20(Predicted)
- FDA UNII
- 57 F04DIDQ · N57F04DIDQ
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers1 total
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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