Theobromine, 1-propyl-

CAS 63906-63-8 MFCD01682413

化学结构图

63906-63-8
SMILES: CCCN1C(=O)N(C)C2N=CN(C)C=2C1=O

化学属性

Mol. FormulaC10H14N4O2
Mol. Weight222.28

别名和识别编码

Chemical NameTheobromine, 1-propyl-
Wiswesser Line NotationT56 BN DN FNVNVJ B1 F1 H3
Synonym 1-Propyl theobromine 1-n-Propyl-3,7-dimethylxanthine
CAS Number63906-63-8
Beilstein Registry Number0023217
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安全信息

RTECSXH2480000
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

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

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