*** CHEMICAL IDENTIFICATION ***

RTECS NUMBER            : XH2388000
CHEMICAL NAME           : Theobromine, 1-(3-hydroxypropyl)-
CAS REGISTRY NUMBER     : 59413-14-8
BEILSTEIN REFERENCE NO. : 0263337
REFERENCE               : 2-26-00-00271 (Beilstein Handbook Reference)
LAST UPDATED            : 199612
DATA ITEMS CITED        : 2
MOLECULAR FORMULA       : C10-H14-N4-O3
MOLECULAR WEIGHT        : 238.28
WISWESSER LINE NOTATION : T56 BN DN FNVNVJ B1 F1 H3Q
COMPOUND DESCRIPTOR     : Drug
SYNONYMS/TRADE NAMES :
   * 3,7-Dihydro-1-(3-hydroxypropyl)-3,7-dimethyl-1H-purine-2,6-dione
   * 1-(3-Hydroxypropyl)-3,7-dimethylxanthine
   * 1-(3-Hydroxypropyl)theobromine
   * gamma-Otb
   * gamma-Oxypropyltheobromin
   * 1-(gamma-Oxypropyl)-theobromin
   * 1H-Purine-2,6-dione, 3,7-dihydro-1-(3-hydroxypropyl)-3,7-dimethyl-
 
                       *** HEALTH HAZARD DATA ***
 
                        ** ACUTE TOXICITY DATA **
 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 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           : 1055 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
 
                            *** END OF RECORD ***