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749-02-0

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Basic Information
CAS No.: 749-02-0
Name: SPIPERONE
Article Data: 8
Molecular Structure:
Molecular Structure of 749-02-0 (SPIPERONE)
Formula: C23H26 F N3 O2
Molecular Weight: 395.477
Synonyms: 1,3,8-Triazaspiro[4.5]decan-4-one,8-[3-(p-fluorobenzoyl)propyl]-1-phenyl- (7CI,8CI);8-[3-(4-Fluorobenzoyl)propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4,5]decane;8-[3-(p-Fluorobenzoyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; NSC170983; R 5147; Spiperone; Spiroperidol; Spiroperidone; Spiropitan
Density: 1.1714 (estimate)
Melting Point: 190-193.60C
Boiling Point: 630.6°C at 760 mmHg
Flash Point: 335.2°C
Solubility: 32mg/L(22 oC)
Hazard Symbols: Xn
Risk Codes: 22-63
Safety: Poison by intravenous and intramuscular routes. Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits very toxic fumes of F− and NOx. See also FLUORIDES.
PSA: 52.65000
LogP: 3.54880
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Chemistry

IUPAC  Name: 8-[4-(4-Fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one   
Molecular Formula: C23H26FN3O2
Molecular Weight: 395.52
Freely Rotating Bonds: 6
Polar Surface Area: 43.86 Å2
Index of Refraction: 1.625
Molar Refractivity: 110.08 cm3
Molar Volume: 311.1 cm3
Polarizability: 43.64 ×10-24 cm3
Surface Tension: 56.7 dyne/cm
Density: 1.27 g/cm3
Flash Point: 335.2 °C
Enthalpy of Vaporization: 93.27 kJ/mol
Boiling Point: 630.6 °C at 760 mmHg
Vapour Pressure: 8.2E-16 mmHg at 25°C 
The Cas Register Number of Spiroperidol Spiroperidol is 749-02-0.The chemical synonyms of Spiroperidol (CAS NO.749-02-0) are 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl- ; 4-Phenyl-8-[3-(4-fluorobenzoyl)propyl]-1-oxo-2,4,8-triazaspiro[4.5]decane ; 8-[4-(4-Fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one ; Spiperone and Spiperone .The molecular structure of Spiroperidol (CAS NO.749-02-0) is.

Uses

 Spiroperidol (CAS NO.749-02-0) is used as organic intermediate.

Toxicity Data With Reference

1.    

ivn-rat LD50:14 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,193.
2.    

ims-rat LD50:168 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),380.
3.    

orl-mus LD50:600 mg/kg

     CHTPBA    Chimica Therapeutica. 7 (1972),493.
4.    

ivn-mus LD50:25,500 µg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),380.
5.    

ims-mus LD50:125 mg/kg

     NIIRDN    “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),380.

Safety Profile

Poison by intravenous and intramuscular routes. Moderately toxic by ingestion. An experimental teratogen. When heated to decomposition it emits very toxic fumes of F− and NOx. See also FLUORIDES.
Hazard Codes: HarmfulXn
Risk Statements: 22-63 
R22: Harmful if swallowed. 
R63: Possible risk of harm to the unborn child.
Safety Statements: 36/37 
S36/37: Wear suitable protective clothing and gloves.
WGK Germany: 3
RTECS: XX8925000