8-Methyltheophylline

CAS 830-65-9 MFCD N/A

化学结构图

830-65-9
SMILES: Cc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1

化学属性

Mol. FormulaC8H10N4O2
Mol. Weight194.22

别名和识别编码

Chemical Name8-Methyltheophylline
Chemicalbook IDCB71509204
Wiswesser Line NotationT56 BM DN FNVNVJ C1 F1 H1
Synonym 3,7-Dihydro-1,3,8-trimethyl-1H-purine-2,6-dione Xanthine, 1,3,8-trimethyl- 8-Methyltheophylline 1H-Purine-2,6-dione, 3,7-dihydro-1,3,8-trimethyl-
CAS Number830-65-9
InChIKeyWZBKGWBHAPBSBF-UHFFFAOYSA-N
PubChem Substance ID95030
InChIInChI=1S/C8H10N4O2/c1-4-9-5-6(10-4)11(2)8(14)12(3)7(5)13/h1-3H3,(H,9,10)
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安全信息

RTECSXH6030000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 130 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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