1H-Purine-2,6-dione,3,7-dihydro-1-(2-hydroxypropyl)-3,7-dimethyl- cas no:50-39-5

Name1H-Purine-2,6-dione,3,7-dihydro-1-(2-hydroxypropyl)-3,7-dimethyl-
CAS50-39-5
SynonymsTheobromine,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
EINECS(EC#)200-034-8
Molecular FormulaC10H14 N4 O3
Molecular Weight238.28

refractive index1.664

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.

CHEMICAL IDENTIFICATION

RTECS NUMBER :

XH2387000

CHEMICAL NAME :

Theobromine, 1-(2-hydroxypropyl)-

CAS REGISTRY NUMBER :

50-39-5

BEILSTEIN REFERENCE NO. :

0263332

LAST UPDATED :

199706

DATA ITEMS CITED :

2

MOLECULAR FORMULA :

C10-H14-N4-O3

MOLECULAR WEIGHT :

238.28

WISWESSER LINE NOTATION :

T56 BN DN FNVNVJ B F H1YQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

780 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,457,1956

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

580 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 6,601,1956