8-Ethylthio-6-thiotheophylline sodium salt

CAS 5779-05-5 MFCD N/A

化学结构图

5779-05-5
SMILES: CCSc1nc2c([n-]1)c(=S)n(C)c(=O)n2C.[Na+]

化学属性

Mol. Weight279.36
Mol. FormulaC9H12N4OS2.Na

别名和识别编码

Wiswesser Line NotationT56 BM DN FNVNYJ CS2 F1 H1 IUS &-NA-
Chemical Name2H-Purin-2-one, 8-(ethylthio)-1,3,6,7-tetrahydro-1,3-dimethyl-6-thioxo-, sodium salt (9CI)
Synonym 2H-Purin-2-one, 8-(ethylthio)-1,3,6,7-tetrahydro-1,3-dimethyl-6-thioxo-, 8-Ethylthio-6-thiotheophylline sodium salt ETTT
CAS Number5779-05-5
InChIKeyOVNNRVBQIIDEDN-UHFFFAOYSA-M
PubChem Substance ID23715658
InChIInChI=1S/C9H12N4OS2.Na/c1-4-16-8-10-5-6(11-8)12(2)9(14)13(3)7(5)15;/h4H2,1-3H3,(H,10,11,15);/q;+1/p-1
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安全信息

RTECSXH5623300 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 162 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Cardiac - change in rate
   Lungs, Thorax, or Respiration - respiratory stimulation
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: 9,500,1966

系列性分类

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