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Seperidol hydrochloride

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Name

Seperidol hydrochloride

EINECS N/A
CAS No. 17230-87-4 Density g/cm3
PSA 40.54000 LogP 6.18430
Solubility N/A Melting Point N/A
Formula C22H22 Cl F4 N O2 . Cl H Boiling Point 539.5°Cat760mmHg
Molecular Weight 480.36 Flash Point 280.1°C
Transport Information N/A Appearance N/A
Safety Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of Cl, F, and NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 17230-87-4 (Clofluperol) Hazard Symbols N/A
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

 

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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