Product Name

  • Name

    Clofluperol

  • EINECS
  • CAS No. 17230-87-4
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C22H22 Cl F4 N O2 . Cl H
  • Boiling Point 539.5°Cat760mmHg
  • Molecular Weight 480.36
  • Flash Point 280.1°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of Cl−, F−, and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 17230-87-4 (Clofluperol)
  • Hazard Symbols
  • Synonyms 1-Butanone,4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-,hydrochloride (9CI); Butyrophenone, 4-[4-(4-chloro-a,a,a-trifluoro-m-tolyl)-4-hydroxypiperidino]-4'-fluoro-,hydrochloride (8CI); 4-[4-(4-Chloro-a,a,a-trifluoro-m-tolyl)-4-hydroxypiperidino]-4'-fluorobutyrophenonehydrochloride; Clofluperidol hydrochloride; Clofluperol hydrochloride; R 9298;Seperidol hydrochloride
  • PSA 40.54000
  • LogP 6.18430

Seperidol hydrochloride Chemical Properties

Molecule structure of Seperidol hydrochloride (CAS NO.17230-87-4) :

IUPAC Name: 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-ium-1-yl]-1-(4-fluorophenyl)butan-1-one chloride 
Molecular Weight: 480.323133 g/mol
Molecular Formula: C22H23Cl2F4NO2 
Boiling Point: 539.5 °C at 760 mmHg
Flash Point: 280.1 °C
Enthalpy of Vaporization: 85.98 kJ/mol
Vapour Pressure: 1.81E-12 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 7
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 479.104197
MonoIsotopic Mass: 479.104197
Topological Polar Surface Area: 41.7
Heavy Atom Count: 31
Complexity: 572
Canonical SMILES: C1C[NH+](CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F.[Cl-]
InChI: InChI=1S/C22H22ClF4NO2.ClH/c23-19-8-5-16(14-18(19)22(25,26)27)21(30)9-12-28(13-10-21)11-1-2-20(29)15-3-6-17(24)7-4-15;/h3-8,14,30H,1-2,9-13H2;1H
InChIKey of Seperidol hydrochloride (CAS NO.17230-87-4) : MNEIBEWKVRSDEX-UHFFFAOYSA-N

Seperidol hydrochloride Toxicity Data With Reference

1.    

orl-rat LD50:195 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,186.
2.    

scu-rat LD50:69 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,186.
3.    

ivn-rat LD50:17 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,186.
4.    

scu-mus LD50:47 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,186.
5.    

ivn-mus LD50:19 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,186.

Seperidol hydrochloride Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of Cl−, F−, and NOx.

Seperidol hydrochloride Specification

 Seperidol hydrochloride (CAS NO.17230-87-4) is also called 1-Butanone, 4-(4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-, hydrochloride ; 4-(4-(4-Chloro-3-(trifluoromethyl)phenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone hydrochloride ; 4-(4-(4-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-hydroxypiperidino)-4'-fluorobutyrophenone hydrochloride ; Clofluperol hydrochloride ; Seperidol HCl .

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