CID 3034024

CAS 6092-18-8 MFCD01726485

化学结构图

6092-18-8
SMILES: C/C(=C1/CCOC(=O)S1)N(C=O)Cc1cnc(C)nc1N

化学属性

Mol. FormulaC13H16N4O3S
Mol. Weight308.39

别名和识别编码

Chemical NameFormamide,N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(1-(2-oxo-1,3-oxathian-4-ylid ene) ethyl)-,
CAS Number6092-18-8
Synonym Commetamin Cycothiamin Cycotiamin Cycothiamine Cyclocarbothiamine ######## Carbothiamine Cometamine Cycotiamine
Chemical Name Translation
Wiswesser Line NotationT6OVSYTJ DU2NVH1- ET6N CNJ B1 DZ
PubChem Substance ID3034024
InChIInChI=1S/C13H16N4O3S/c1-8(11-3-4-20-13(19)21-11)17(7-18)6-10-5-15-9(2)16-12(10)14/h5,7H,3-4,6H2,1-2H3,(H2,14,15,16)/b11-8+
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分类

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

产品应用

  • Thiamine (T344185) derivative used in the treatment of neurogenic bladder dysfunction. It is absorbed from the intestine and rapidly metabolized into thiamine in the blood. Studies suggest that it has

相关文献及参考

  • Nihira, H. et al.: Hinyok. Kiyo, 12, 823 (1966); Shiobara, Y. et al.: Bitamin, 37, 306 (1968); Kuriaki, K. et al.: Bitamin, 41, 30 (1970);

安全信息

RTECSLQ0900000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 359 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,316,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 580 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,447,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 6050 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,316,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 7604 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,447,1990

系列性分类

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