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Substance Name: Acetylthiamine
RN: 3419-28-1
InChIKey: MMSHYYQFAKJDON-UHFFFAOYSA-M

Molecular Formula

  • C14-H19-N4-O2-S.Cl

Molecular Weight

  • 342.849
 
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Names and Synonyms

Name of Substance

  • Acetylthiamine

Synonym

  • Thiamine acetate ester

Systematic Name

  • Thiazolium, 5-(2-(acetyloxy)ethyl)-3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-, chloride

Registry Numbers

CAS Registry Number

  • 3419-28-1

System Generated Number

  • 0003419281

Molecular Formulas

Molecular Formula

  • C14-H19-N4-O2-S.Cl

Molecular Formula Fragments

  • C14-H19-N4-O2-S
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C14H19N4O2S.ClH/c1-9-13(4-5-20-11(3)19)21-8-18(9)7-12-6-16-10(2)17-14(12)15;/h6,8H,4-5,7H2,1-3H3,(H2,15,16,17);1H/q+1;/p-1

InChIKey

MMSHYYQFAKJDON-UHFFFAOYSA-M

Smiles

O(CCc1sc[n+](Cc2c(N)nc(nc2)C)c1C)C(=O)C.[ClH-]