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Substance Name: Pyridoxine-5-isothiuronium bromide
RN: 23679-46-1
InChIKey: LQHQIUUOLFXMNI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N3-O2-S.Br-H

Molecular Weight

  • 308.199
 
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Names and Synonyms

Results Name

  • Pyridoxine-5-isothiuronium bromide

Synonyms

  • 2-((5-Hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl)methyl)-2-thio-pseudourea hydrobromide
  • Carbamimidothioic acid, (5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl ester HBr
  • Pyridoxine-5-isothiuronium bromide

Systematic Name

  • Pseudourea, 2-((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl)methyl)-2-thio-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 23679-46-1

System Generated Number

  • 0023679461

Molecular Formulas

Molecular Formula

  • C9-H13-N3-O2-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C9-H13-N3-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H13N3O2S.BrH/c1-5-8(14)7(3-13)6(2-12-5)4-15-9(10)11;/h2,13-14H,3-4H2,1H3,(H3,10,11);1H

InChIKey

LQHQIUUOLFXMNI-UHFFFAOYSA-N

Smiles

c1(c(O)c(c(cn1)CSC(=N)N)CO)C.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 160mg/kg (160mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 409, 1974.