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138908-40-4

Basic Information
CAS No.: 138908-40-4
Name: CL 316243
Article Data: 3
Molecular Structure:
Molecular Structure of 138908-40-4 (CL 316243)
Formula: C20H18ClNO7•2Na
Molecular Weight: 465.80
Synonyms: Disodium (R,R)-5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)-amino)propyl)-1,3-benzodioxole-2,3-dicarboxylate;disodium 5-[(2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}propyl]-1,3-benzodioxole-2,2-dicarboxylate;BTA-243;disodium 5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxazole-2,2-dicarboxylate;CL 316,243;
Density: g/cm3
Boiling Point: 689.5°Cat760mmHg
Flash Point: 370.8°C
Hazard Symbols: A poison.
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and Cl.
PSA: 130.98000
LogP: -0.04760
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Chemistry

IUPAC Name: 5-[(2R)-2-[[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid; sodium
Synonyms of Sodium (R,R)-5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)-1,3-benzodioxole-2,2- (CAS NO.138908-40-4): CL 316,243 ; Disodium (R,R)-5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)-amino)propyl)-1,3-benzodioxole-2,3-dicarboxylate ; 1,3-Benzodioxole-2,2-dicanboxylic acid, 5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)-, disodium salt, (R-(R*,R*))-
CAS NO: 138908-40-4
Molecular Formula: C20H20ClNNa2O7
Molecular Weight : 467.8078
Molecular Structure:
H bond acceptors: 8
H bond donors: 4
Freely Rotating Bonds: 9
Polar Surface Area: 83.53 Å2
Flash Point: 370.8 °C
Enthalpy of Vaporization: 106.13 kJ/mol
Boiling Point: 689.5 °C at 760 mmHg
Vapour Pressure: 5.86E-20 mmHg at 25°C

Toxicity Data With Reference

1.    

ivn-rat TDLo:1 µg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 293 (2000),939.
2.    

ivn-rat TDLo:10 µg/kg

    JPETAB    Journal of Pharmacology and Experimental Therapeutics. 293 (2000),939.

Safety Profile

A poison by intravenous route. When Sodium (R,R)-5-(2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)-1,3-benzodioxole-2,2- (CAS NO.138908-40-4) is heated to decomposition, it emits toxic vapors of NOx and Cl.