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Substance Name: Cetotiamine [INN]
RN: 137-76-8
UNII: 67IKV111BO
InChIKey: YBROOZNJUDHTGE-QINSGFPZSA-N

Molecular Formula

  • C18-H26-N4-O6-S

Molecular Weight

  • 426.491
 
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Names and Synonyms

Name of Substance

  • Cetotiamine [INN]
  • O,S-Dicarbethoxythiamine

Synonyms

  • Cetotiamina
  • Cetotiamina [INN-Spanish]
  • Cetotiamine
  • Cetotiaminum
  • Cetotiaminum [INN-Latin]
  • DCET
  • Dicetamin
  • Dicethiamin
  • N-(5-(Ethoxycarbonyloxy)-3-(ethoxycarbonylthio)-2-penten-2-yl)-N-((4-amino-2-methyl-5-pyrimidinyl)methyl)formamid
  • S-Ester of O-ethyl thiocarbonate with N-((4-amino-2-methyl-5-pyrimidinyl)methyl)-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate
  • UNII-67IKV111BO

Systematic Name

  • O,S-Bis(ethoxycarbonyl)thiamine

Registry Numbers

CAS Registry Number

  • 137-76-8

FDA UNII

  • 67IKV111BO

System Generated Number

  • 0000137768

Structure Descriptors

InChI

1S/C18H26N4O6S/c1-5-26-17(24)28-8-7-15(29-18(25)27-6-2)12(3)22(11-23)10-14-9-20-13(4)21-16(14)19/h9,11H,5-8,10H2,1-4H3,(H2,19,20,21)/b15-12-

InChIKey

YBROOZNJUDHTGE-QINSGFPZSA-N

Smiles

c1(C)ncc(c(N)n1)CN(C=O)\C(=C(/SC(=O)OCC)CCOC(OCC)=O)C