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50-39-5

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Basic Information
CAS No.: 50-39-5
Name: protheobromine
Article Data: 7
Molecular Structure:
Molecular Structure of 50-39-5 (protheobromine)
Formula: C10H14 N4 O3
Molecular Weight: 238.246
Synonyms: Theobromine,1-(2-hydroxypropyl)- (6CI,7CI,8CI); 1-(2-Hydroxypropyl)-3,7-dimethylxanthine; 1-(2-Hydroxypropyl)theobromine;1-(b-Hydroxypropyl)theobromine;Bonicor; Cordabromin; Cordaleromin; Corodil; Pantobromina; Pro-Cor;Protheobromin; Protheobromine; TEBE; Vascopil
Density: 1.46g/cm3
Melting Point: 140-142°
Boiling Point: 493.1°Cat760mmHg
Flash Point: 252°C
Safety: Moderately toxic by intraperitoneal and subcutaneous routes. Used as a diuretic agent. When heated to decomposition it emits toxic fumes of NOx. See also THEOBROMINE.
PSA: 82.05000
LogP: -1.18550
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Toxicity Data With Reference

1.   

ipr-mus LDLo:780 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 6 (1956),457.
2.   

scu-mus LD50:580 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 6 (1956),601.

Safety Profile

Moderately toxic by intraperitoneal and subcutaneous routes. Used as a diuretic agent. When heated to decomposition it emits toxic fumes of NOx. See also THEOBROMINE.