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Substance Name: O-Bromoacetylthiamine
RN: 117826-71-8
InChIKey: DGCOUKMXDGTATP-UHFFFAOYSA-N

Note

  • Inactivates the thiamine transport system in Saccharomyces cerevisiae.

Molecular Formula

  • C14-H18-Br-N4-O2-S

Molecular Weight

  • 386.2922
 
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Names and Synonyms

Name of Substance

  • O-Bromoacetylthiamine

Synonym

  • Bracthiamine

Systematic Name

  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-((bromoacetyl)oxy)ethyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 117826-71-8

System Generated Number

  • 0117826718

Structure Descriptors

InChI

1S/C14H18BrN4O2S/c1-9-12(3-4-21-13(20)5-15)22-8-19(9)7-11-6-17-10(2)18-14(11)16/h6,8H,3-5,7H2,1-2H3,(H2,16,17,18)/q+1

InChIKey

DGCOUKMXDGTATP-UHFFFAOYSA-N

Smiles

Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCOC(=O)CBr