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Substance Name: 4-Azido-2-nitrobenzoylthiamine
RN: 78897-57-1
InChIKey: KPYQSGABZUVMOY-UHFFFAOYSA-M

Note

  • Photoinactivator of thiamine transport system in Saccharomyces cerevisiae.

Molecular Formula

  • C19-H19-N8-O4-S.Br-H.Br

Molecular Weight

  • 616.293
 
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Names and Synonyms

Name of Substance

  • 4-Azido-2-nitrobenzoylthiamine

Synonym

  • 4-Anbt

Systematic Name

  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-((4-azido-2-nitrobenzoyl)oxy)ethyl)-4-methyl-, bromide, monohydrobromide

Registry Numbers

CAS Registry Number

  • 78897-57-1

System Generated Number

  • 0078897571

Molecular Formulas

Molecular Formula

  • C19-H19-N8-O4-S.Br-H.Br

Molecular Formula Fragments

  • Br
  • Br-H
  • C19-H19-N8-O4-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19N8O4S.2BrH/c1-11-17(32-10-26(11)9-13-8-22-12(2)23-18(13)20)5-6-31-19(28)15-4-3-14(24-25-21)7-16(15)27(29)30;;/h3-4,7-8,10H,5-6,9H2,1-2H3,(H2,20,22,23);2*1H/q+1;;/p-1

InChIKey

KPYQSGABZUVMOY-UHFFFAOYSA-M

Smiles

Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOC(=O)c3ccc(cc3[N+](=O)[O-])N=[N+]=[N-].Br.[Br-]