Oxo Thiamine 硫代硫胺素

CAS 490-82-4 MFCD00490824

化学结构图

490-82-4
SMILES: Cc1ncc(Cn2c(C)c(CCO)sc2=O)c(N)n1

化学属性

Mol. Weight280.35
Mol. FormulaC12H16N4O2S
Melting Point237 °C
Boiling Point507.0±60.0 °C at 760 mmHg

别名和识别编码

CAS Number490-82-4
Chemical NameOxo Thiamine
Synonym Oxo thiamine {LY} Oxo thiamine {} {LY} Oxo thiamine {} {} {LY} Oxo thiamine {} {} {} {LY} Oxo thiamine {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Oxo thiamine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation硫代硫胺素
InChIKeyVXCONGLPCAPYEU-UHFFFAOYSA-N
Beilstein Registry Number0310984
PubChem Substance ID120267
InChIInChI=1S/C12H16N4O2S/c1-7-10(3-4-17)19-12(18)16(7)6-9-5-14-8(2)15-11(9)13/h5,17H,3-4,6H2,1-2H3,(H2,13,14,15)
MDL NumberMFCD01680742
Canonical SMILESO=C1SC(CCO)=C(C)N1CC2=CN=C(C)N=C2N
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分类

  • Amines
  • Aromatics
  • Heterocycles
  • Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Sulfur & Selenium Compounds

产品应用

  • Thiamine (T344185) impurity.

相关文献及参考

  • Warnock, L., et al.: Anal. Biochem., 126, 394 (1982),

安全信息

RTECSXJ7054240 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 530 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy)
   V.8-43    1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 23,69,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 730 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - ataxia
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy)
   V.8-43    1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 23,69,1968

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPPAO Farmaco, Edizione Pratica. (Casella Postale 227, 27100 Pavia, Italy)
   V.8-43    1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 23,69,1968

Storage condition

系列性分类

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