Theophylline, 8-isobutyl-

CAS 5770-30-9 MFCD01682228

化学结构图

5770-30-9
SMILES: CC(C)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

化学属性

Mol. FormulaC11H16N4O2
Mol. Weight236.31

别名和识别编码

Chemical NameTheophylline, 8-isobutyl-
Wiswesser Line NotationT56 BM DN FNVNVJ C1Y1&1 F1 H1
Synonym Xanthine, 1,3-dimethyl-8-isobutyl- 8-Isobutyl theophylline
CAS Number5770-30-9
Beilstein Registry Number0235781
InChIKeyNOEMEJJCNDUHJT-UHFFFAOYSA-N
PubChem Substance ID79839
InChIInChI=1S/C11H16N4O2/c1-6(2)5-7-12-8-9(13-7)14(3)11(17)15(4)10(8)16/h6H,5H2,1-4H3,(H,12,13)
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安全信息

RTECSXH5910000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 14,1202,1971

系列性分类

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