*** CHEMICAL IDENTIFICATION ***

RTECS NUMBER            : XH2378700
CHEMICAL NAME           : Theobromine, 1-(2,3-dihydroxypropyl)-
CAS REGISTRY NUMBER     : 13460-96-3
BEILSTEIN REFERENCE NO. : 0284032
REFERENCE               : 4-26-00-02370 (Beilstein Handbook Reference)
LAST UPDATED            : 199706
DATA ITEMS CITED        : 2
MOLECULAR FORMULA       : C10-H14-N4-O4
MOLECULAR WEIGHT        : 254.28
WISWESSER LINE NOTATION : T56 BN DN FNVNVJ B1 F1 H1YQ1Q
COMPOUND DESCRIPTOR     : Drug
SYNONYMS/TRADE NAMES :
   * 1-(2,3-Dihydroxypropyl)-3,7-dimethylxanthine
   * 1-Dihydroxypropyltheobromine
   * 1-(2,3-Dihydroxypropyl)theobromine
   * 1-(beta,gamma-Dioxypropyl)-theobromin
   * 1-(2,3-Dwuhydroksypropylo)-teobrominy
   * Isobromin
   * 1H-Purine-2,6-dione, 3,7-dihydro-1-(2,3-dihydroxypropyl)-
   * Theocardin
   * Theocardine
 
                       *** HEALTH HAZARD DATA ***
 
                        ** ACUTE TOXICITY DATA **
 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3370 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       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1920 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APPHAX Acta Poloniae Pharmaceutica.  For English translation, see APPFAR.
   (Ars Polona, POB 1001, 00-680 Warsaw 1, Poland)  V.1-    1937-
   Volume(issue)/page/year: 18,335,1961
 
                            *** END OF RECORD ***