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Substance Name: Oxythiamine bromide monohydrobromide
RN: 108051-45-2
InChIKey: PHNWOBVJEMDURQ-UHFFFAOYSA-N

Molecular Formula

  • C12-H16-N3-O2-S.Br.Br-H

Molecular Weight

  • 427.1593
 
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Names and Synonyms

Results Name

  • Oxythiamine bromide monohydrobromide

Synonyms

  • Hydroxythiamine bromide monohydrobromide
  • Oxythiamine bromide monohydrobromide

Systematic Name

  • Thiazolium, 3-((1,4-dihydro-2-methyl-4-oxo-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, bromide, monohydrobromide

Registry Numbers

CAS Registry Number

  • 108051-45-2

System Generated Number

  • 0108051452

Molecular Formulas

Molecular Formula

  • C12-H16-N3-O2-S.Br.Br-H

Molecular Formula Fragments

  • Br
  • Br-H
  • C12-H16-N3-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15N3O2S.2BrH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;;/h5,7,16H,3-4,6H2,1-2H3;2*1H

InChIKey

PHNWOBVJEMDURQ-UHFFFAOYSA-N

Smiles

Cc1c(sc[n+]1Cc2c[nH]c(nc2=O)C)CCO.Br.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 2850mg/kg (2850mg/kg)   Voprosy Meditsinskoi Khimii. Problems of Medical Chemistry. Vol. 33, Pg. 70, 1987.