Theophylline, 8-propylthio-2-thio-

CAS 4791-36-0 MFCD N/A

化学结构图

4791-36-0
SMILES: CCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

化学属性

Mol. Weight270.40
Mol. FormulaC10H14N4OS2

别名和识别编码

Synonym 2-Thio-8-propylthiotheophylline Uric acid, 1,3-dimethyl-8-propylthio-2-thio-
Wiswesser Line NotationT56 BM DN FNYNVJ CS3 F1 GUS H1
Chemical NameTheophylline, 8-propylthio-2-thio-
Beilstein Registry Number1131321
CAS Number4791-36-0
InChIKeyCSHMGSIYEGLDTE-UHFFFAOYSA-N
PubChem Substance ID96970
InChIInChI=1S/C10H14N4OS2/c1-4-5-17-9-11-6-7(12-9)13(2)10(16)14(3)8(6)15/h4-5H2,1-3H3,(H,11,12)
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安全信息

RTECSXH6493300 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 14 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#04418

系列性分类

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