8-Mercaptocaffeine

CAS 1790-74-5 MFCD00561621

化学结构图

1790-74-5
SMILES: Cn1c(=O)c2c(nc(S)n2C)n(C)c1=O

化学属性

Mol. FormulaC8H10N4O2S
Mol. Weight226.28

别名和识别编码

Chemical NameCaffeine, 8-mercapto-
InChIKeyPBFGLXCHNDQITC-UHFFFAOYSA-N
Synonym 1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-1,3,7-trimethyl-8-thioxo- 8-Mercaptocaffeine
CAS Number1790-74-5
PubChem Substance ID764318
InChIInChI=1S/C8H10N4O2S/c1-10-4-5(9-7(10)15)11(2)8(14)12(3)6(4)13/h1-3H3,(H,9,15)
LabNetwork Molecule IDLN00257062
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安全信息

RTECSEV6572000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1272 mg/kg
TOXIC EFFECTS :
   Behavioral - excitement
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   FATOAO Farmakologiya i Toksikologiya (Moscow).  For English translation, see
   PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2-   
   1939-  Volume(issue)/page/year: 23,118,1960

系列性分类

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