*** CHEMICAL IDENTIFICATION ***
RTECS NUMBER : XH2480000
CHEMICAL NAME : Theobromine, 1-propyl-
CAS REGISTRY NUMBER : 63906-63-8
BEILSTEIN REFERENCE NO. : 0023217
REFERENCE : 4-26-00-02347 (Beilstein Handbook Reference)
LAST UPDATED : 199612
DATA ITEMS CITED : 4
MOLECULAR FORMULA : C10-H14-N4-O2
MOLECULAR WEIGHT : 222.28
WISWESSER LINE NOTATION : T56 BN DN FNVNVJ B1 F1 H3
COMPOUND DESCRIPTOR : Drug
Mutagen
Human
SYNONYMS/TRADE NAMES :
* 1-Propyl theobromine
* 1-n-Propyl-3,7-dimethylxanthine
*** HEALTH HAZARD DATA ***
** ACUTE TOXICITY DATA **
TYPE OF TEST : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE : Oral
SPECIES OBSERVED : Human
DOSE/DURATION : 26 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
Gastrointestinal - nausea or vomiting
Skin and Appendages - sweating
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
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE : Intravenous
SPECIES OBSERVED : Rodent - mouse
DOSE/DURATION : 126 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 ***