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2062-77-3

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Basic Information
CAS No.: 2062-77-3
Name: TRIFLUPERIDOL HCL
Molecular Structure:
Molecular Structure of 2062-77-3 (TRIFLUPERIDOL HCL)
Formula: C22H23 F4 N O2 . Cl H
Molecular Weight: 445.885
Synonyms: 1-Butanone,1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-,hydrochloride (9CI); Butyrophenone, 4'-fluoro-4-[4-hydroxy-4-(a,a,a-trifluoro-m-tolyl)piperidino]-, hydrochloride (7CI,8CI); Psychoperidol; R2489; Trifluperidol chlorhydrate; Trifluperidol hydrochloride; Triperidolhydrochloride; Trisedil hydrochloride
Density: 1.26g/cm3
Melting Point: 200.5-201.3°
Boiling Point: 515.9°Cat760mmHg
Flash Point: 265.8°C
Hazard Symbols:
Risk Codes: 25
Safety: Poison by subcutaneous, intravenous, and ingestion routes. When heated to decomposition it emits very toxic fumes of F−, NOx, and HCl. See also FLUORIDES.
PSA: 40.54000
LogP: 5.53090
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Chemistry

Empirical Formula of Trifluperidol hydrochloride (CAS NO.2062-77-3): C22H24ClF4NO2
Molecular Weight: 445.8781 g/mol
Flash Point: 265.8 °C
Enthalpy of Vaporization: 82.95 kJ/mol
Boiling Point: 515.9 °C at 760 mmHg
Vapour Pressure: 1.8E-11 mmHg at 25 °C
Structure of Trifluperidol hydrochloride (CAS NO.2062-77-3):
                      
IUPAC Name: 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one hydrochloride
Canonical SMILES: C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)CCCC(=O)C3=CC=C(C=C3)F.Cl
InChI: InChI=1S/C22H23F4NO2.ClH/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26;/h1,3-4,6-9,15,29H,2,5,10-14H2;1H
InChIKey: VYGQXRZAHIZHQV-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LDLo:75 mg/kg

     THERAP    Therapie. 17 (1962),1053.
2.    

scu-rat LD50:70 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 11 (1961),932.
3.    

ivn-rat LD50:14 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,194.
4.    

orl-mus LD50:99 mg/kg

     THERAP    Therapie. 17 (1962),1053.
5.    

scu-mus LD50:80 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,194.
6.    

ivn-mus LD50:17,400 µg/kg

     THERAP    Therapie. 17 (1962),1053.

Safety Profile

Poison by subcutaneous, intravenous, and ingestion routes. When heated to decomposition Trifluperidol hydrochloride (CAS NO.2062-77-3) emits very toxic fumes of F−, NOx, and HCl. See also FLUORIDES.

Specification

 Trifluperidol hydrochloride , its cas register number is 2062-77-3. It also can be called Trisedil hydrochloride ; 4'-Fluoro-4-(4-hydroxy-4-trifluoromethylphenylpiperidino)butyrophenone hydrochloride ; and 1-Butanone, 1-(4-fluorophenyl)-4-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)-1-piperidinyl)-, hydrochloride (9CI) .