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2804-00-4

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Basic Information
CAS No.: 2804-00-4
Name: Roxoperone
Molecular Structure:
Molecular Structure of 2804-00-4 (Roxoperone)
Formula: C19H23 F N2 O3
Molecular Weight: 346.402
Synonyms: 2,8-Diazaspiro[4.5]decane-1,3-dione,8-[3-(p-fluorobenzoyl)propyl]-2-methyl- (7CI,8CI);8-[3-(p-Fluorobenzoyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione; FR33; NSC 186062; Roxoperone
Density: 1.26g/cm3
Boiling Point: 530.9°Cat760mmHg
Flash Point: 274.9°C
Safety: Poison by ingestion and intravenous routes. When heated to decomposition it emits very toxic fumes of F− and NOx.
PSA: 57.69000
LogP: 2.13530
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Chemistry

Molecular Structure of 8-(4-p-Fluoro phenyl-4-oxobutyl)-2-methyl-2,8-diazaspiro(4.5)decane-1,3-dione (CAS NO.2804-00-4):

IUPAC Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-3,8-diazaspiro[4.5]decane-2,4-dione
Empirical Formula: C19H23FN2O3 
Molecular Weight: 346.3959 
Surface Tension: 52.3 dyne/cm
Density: 1.26 g/cm3 
Flash Point: 274.9 °C
Enthalpy of Vaporization: 80.63 kJ/mol 
Boiling Point: 530.9 °C at 760 mmHg
Vapour Pressure: 2.36E-11 mmHg at 25°C 
Index of Refraction: 1.579 
Classification Code :  Neuroleptic
Synonyms of 8-(4-p-Fluoro phenyl-4-oxobutyl)-2-methyl-2,8-diazaspiro(4.5)decane-1,3-dione (CAS NO.2804-00-4):
 Roxoperone ; 8-[3-(p-Fluorobenzoyl)propyl]-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione ; F-33 ; FR-33;R-7158 ; 8-(4-p-Fluorophenyl-4-oxobutyl)-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione ; 2,8-Diazaspiro(4.5)decane-1,3-dione, 8-(4-(4-fluorophenyl)-4-oxobutyl)-2-methyl- (9CI) ; diazaspiro(4.5)decane-1,3-dione

Toxicity Data With Reference

1.    

ivn-rat LD50:92 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,189.
2.    

orl-mus LD50:193 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,189.
3.    

ivn-mus LD50:90 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,189.
4.    

ivn-dog LD50:56 mg/kg

     27ZQAG    Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,189.

Consensus Reports

 8-(4-p-Fluoro phenyl-4-oxobutyl)-2-methyl-2,8-diazaspiro(4.5)decane-1,3-dione (CAS NO.2804-00-4) was reported in 27ZQAG "Psychotropic Drugs and Related Compounds," .

Safety Profile

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