Theophylline, 7-isopentyl-

CAS 1146-79-8 MFCD01682230

化学结构图

1146-79-8
SMILES: CC(C)CCn1cnc2c1c(=O)n(C)c(=O)n2C

化学属性

Mol. FormulaC12H18N4O2
Mol. Weight250.34

别名和识别编码

Chemical NameTheophylline, 7-isopentyl-
Synonym 7-Isoamyltheophylline 7-Isopentyltheophylline
CAS Number1146-79-8
InChIKeySUXGNVXVBNEMKX-UHFFFAOYSA-N
PubChem Substance ID121034
InChIInChI=1S/C12H18N4O2/c1-8(2)5-6-16-7-13-10-9(16)11(17)15(4)12(18)14(10)3/h7-8H,5-6H2,1-4H3
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安全信息

RTECSXH5915000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 211 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           : 723 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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