Theophylline, 8-hexylthio-2-thio-

CAS 4869-71-0 MFCD04869710

化学结构图

4869-71-0
SMILES: CCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight312.49
Mol. FormulaC13H20N4OS2

别名和识别编码

Chemical NameTheophylline, 8-hexylthio-2-thio-
Chemicalbook IDCB82208787
Synonym 2-Thio-8-n-hexylthiotheophylline Uric acid, 1,3-dimethyl-8-hexylthio-2-thio-
Wiswesser Line NotationT56 BM DN FNYNVJ CS6 F1 GUS H1
Beilstein Registry Number1140739
CAS Number4869-71-0
InChIKeyNKQXGATZTNBEET-UHFFFAOYSA-N
PubChem Substance ID96981
InChIInChI=1S/C13H20N4OS2/c1-4-5-6-7-8-20-12-14-9-10(15-12)16(2)13(19)17(3)11(9)18/h4-8H2,1-3H3,(H,14,15)
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安全信息

RTECSXH5710000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 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#04433

系列性分类

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