*** CHEMICAL IDENTIFICATION ***

RTECS NUMBER            : XH2370000
CHEMICAL NAME           : Theobromine, 1-butyl-
CAS REGISTRY NUMBER     : 1143-30-2
BEILSTEIN REFERENCE NO. : 0026680
REFERENCE               : 4-26-00-02348 (Beilstein Handbook Reference)
LAST UPDATED            : 199612
DATA ITEMS CITED        : 3
MOLECULAR FORMULA       : C11-H16-N4-O2
MOLECULAR WEIGHT        : 236.31
WISWESSER LINE NOTATION : T56 BN DN FNVNVJ B1 F1 H4
COMPOUND DESCRIPTOR     : Drug
                          Mutagen
SYNONYMS/TRADE NAMES :
   * 1-n-Butyl-3,7-dimethylxanthine
 
                       *** HEALTH HAZARD DATA ***
 
                        ** ACUTE TOXICITY DATA **
 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 167 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 86,113,1946
 
                            ** MUTATION DATA **
 
TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   BIOJAU Biophysical Journal.  (Rockefeller Univ. Press, 1230 York Ave., New
   York, NY 10021) V.1-    1960-  Volume(issue)/page/year: 35,665,1981
 
TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 4 mmol/L
REFERENCE :
   BIOJAU Biophysical Journal.  (Rockefeller Univ. Press, 1230 York Ave., New
   York, NY 10021) V.1-    1960-  Volume(issue)/page/year: 35,665,1981
 
                            *** END OF RECORD ***