Theophylline, 8-methylthio-6-thio-

CAS 4791-34-8 MFCD N/A

化学结构图

4791-34-8
SMILES: CSc1nc2c([nH]1)c(=S)n(C)c(=O)n2C

化学属性

Mol. Weight242.34
Mol. FormulaC8H10N4OS2

别名和识别编码

Chemical NameTheophylline, 8-methylthio-6-thio-
Chemicalbook IDCB02217121
Synonym 6-Thio-8-methylthiotheophylline Uric acid, 1,3-dimethyl-8-methylthio-6-thio-
Wiswesser Line NotationT56 BM DN FNVNYJ CS1 F1 H1 IUS
Beilstein Registry Number1125484
CAS Number4791-34-8
InChIKeyKBRBLIPQXNCIFS-UHFFFAOYSA-N
PubChem Substance ID3034525
InChIInChI=1S/C8H10N4OS2/c1-11-5-4(9-7(10-5)15-3)6(14)12(2)8(11)13/h1-3H3,(H,9,10)
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安全信息

RTECSXH6143000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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#04420

系列性分类

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