Theophylline, 8-isobutylthio-6-thio-

CAS 6493-41-0 MFCD06493410

化学结构图

6493-41-0
SMILES: CC(C)CSc1nc2c([nH]1)c(=S)n(C)c(=O)n2C

化学属性

Mol. Weight284.43
Mol. FormulaC11H16N4OS2

别名和识别编码

Chemical NameTheophylline, 8-isobutylthio-6-thio-
Chemicalbook IDCB72298161
Synonym 6-Thio-8-isobutylthiotheophylline Uric acid, 1,3-dimethyl-8-isobutylthio-6-thio-
Wiswesser Line NotationT56 BM DN FNVNYJ CS1Y1&1 F1 H1 IUS
Beilstein Registry Number1133165
CAS Number6493-41-0
InChIKeyFQWJZYANKIABOI-UHFFFAOYSA-N
PubChem Substance ID3034532
InChIInChI=1S/C11H16N4OS2/c1-6(2)5-18-10-12-7-8(13-10)14(3)11(16)15(4)9(7)17/h6H,5H2,1-4H3,(H,12,13)
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安全信息

RTECSXH5913000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04439

系列性分类

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