1-Butyltheobromine

CAS 1143-30-2 MFCD01682391

化学结构图

1143-30-2
SMILES: CCCCn1c(=O)c2c(ncn2C)n(C)c1=O

化学属性

Mol. FormulaC11H16N4O2
Mol. Weight236.31

别名和识别编码

Chemical NameTheobromine, 1-butyl-
Wiswesser Line NotationT56 BN DN FNVNVJ B1 F1 H4
Synonym 1-n-Butyl-3,7-dimethylxanthine
CAS Number1143-30-2
Beilstein Registry Number0026680
PubChem Substance ID70835
InChIInChI=1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
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安全信息

RTECSXH2370000 
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

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

系列性分类

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