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Substance Name: Thiamine bromide
RN: 7019-71-8
UNII: JIJ7B8T57F
InChIKey: URCYCZPVXXIFSR-UHFFFAOYSA-M

Molecular Formula

  • C12-H17-N4-O-S.Br

Molecular Weight

  • 345.263
 
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Names and Synonyms

Name of Substance

  • Thiamine bromide

Synonym

  • UNII-JIJ7B8T57F

Systematic Name

  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, bromide

Registry Numbers

CAS Registry Number

  • 7019-71-8

FDA UNII

  • JIJ7B8T57F

System Generated Number

  • 0007019718

Molecular Formulas

Molecular Formula

  • C12-H17-N4-O-S.Br

Molecular Formula Fragments

  • Br
  • C12-H17-N4-O-S
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C12H17N4OS.BrH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q+1;/p-1

InChIKey

URCYCZPVXXIFSR-UHFFFAOYSA-M

Smiles

[Br-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1