Seperidol Hydrochloride
Basic information
- CAS
17230-87-4- Standard SMILES
O=C(CCC[NH+]1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccc(F)cc1.[Cl-]- InChIKey
MNEIBEWKVRSDEX-UHFFFAOYSA-N- Molecular formula
- C22H23Cl2F4NO2
- Average molar mass
- 480.3 g/mol
- Monoisotopic mass
- 479.104197
Overview
See also: Seperidol (has active moiety).
Names & identifiers
- Preferred name
- Seperidol Hydrochloride
- IUPAC
- 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride
Names & synonyms
SeperolSeperidol hydrochlorideSeperidol HClClofluperol hydrochlorideSeperidol hydrochloride [USAN]17230-87-4UNII-JA0GE6S29WJA0GE6S29WSeperidol hydrochloride (USAN)R9298R 92984-(4-(4-Chloro-3-(trifluoromethyl)phenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone hydrochloride
Show more names
1-Butanone, 4-(4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-, hydrochlorideButyrophenone, 4-(4-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-hydroxypiperidino)-4'-fluoro-, hydrochlorideRefChem:182418R-9298Speridol hydrochloride4-(4-(4-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone hydrochloride4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one;chlorideNS00123362
Database identifiers
- CAS
17230-87-4- PubChem CID
- 28416
- ChEMBL
CHEMBL2107270
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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