7-Butyltheophylline

CAS 1021-65-4 MFCD01682354

化学结构图

1021-65-4
SMILES: CCCCn1cnc2c1c(=O)n(C)c(=O)n2C

化学属性

Mol. FormulaC11H16N4O2
Mol. Weight236.31

别名和识别编码

Chemical NameTheophylline, 7-butyl-
Synonym 7-Butyltheophylline 1H-Purine-2,6-dione, 3,7-dihydro-7-butyl-1,3-dimethyl- 3,7-Dihydro-7-butyl-1,3-dimethyl-1H-purine-2,6-dione
CAS Number1021-65-4
Beilstein Registry Number0250158
PubChem Substance ID70557
InChIInChI=1S/C11H16N4O2/c1-4-5-6-15-7-12-9-8(15)10(16)14(3)11(17)13(9)2/h7H,4-6H2,1-3H3
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安全信息

RTECSXH4999000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 272 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 116,343,1956

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 617 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 116,343,1956

系列性分类

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