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Substance Name: Thiamine hydrobromide hemihydrate
RN: 62084-87-1
UNII: WV7TS40872
InChIKey: FRXIQIQFJIRBSL-UHFFFAOYSA-L

Molecular Formula

  • 2C12-H17-N4-O-S.2Br.2Br-H.H2-O

Molecular Weight

  • 870.3652
 
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Names and Synonyms

Name of Substance

  • Thiamine hydrobromide hemihydrate

Synonyms

  • 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4- methylthiazolium bromide, mono-hydrobromide, hemihydrate
  • Thiamine bromide, monohydrobromide, hemihydrate
  • Thiamine bromide, monohydrobromide, hemihydrate [WHO-IP]
  • Thiamine hydrobromide hemihydrate
  • Thiamine hydrobromide hemihydrate [WHO-IP]
  • Thiamini hydrobromidum hemihydrate [WHO-IP LATIN]
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, bromide, hydrobromide, hydrate (2:2:2:1)
  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, bromide, monohydrobromide, hydrate (2:1)
  • UNII-WV7TS40872

Registry Numbers

CAS Registry Number

  • 62084-87-1

FDA UNII

  • WV7TS40872

System Generated Number

  • 0062084871

Structure Descriptors

InChI

1S/2C12H17N4OS.4BrH.H2O/c2*1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;;;;/h2*5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);4*1H;1H2/q2*+1;;;;;/p-2

InChIKey

FRXIQIQFJIRBSL-UHFFFAOYSA-L

Smiles

O.Br.Br.[Br-].[Br-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.Cc3ncc(C[n+]4csc(CCO)c4C)c(N)n3