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Substance Name: Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(methylsulfinyl)ethyl)-, chloride, monohydrochloride
RN: 33071-33-9
InChIKey: VZVFDFSUPAHMEN-UHFFFAOYSA-M

Molecular Formula

  • C13-H19-N4-O-S2.Cl-H.Cl

Molecular Weight

  • 383.366
 
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Names and Synonyms

Synonym

  • Methylsulfinylethylthiamine

Systematic Name

  • Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(methylsulfinyl)ethyl)-, chloride, monohydrochloride

Registry Numbers

CAS Registry Number

  • 33071-33-9

System Generated Number

  • 0033071339

Molecular Formulas

Molecular Formula

  • C13-H19-N4-O-S2.Cl-H.Cl

Molecular Formula Fragments

  • C13-H19-N4-O-S2
  • Cl
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H19N4OS2.2ClH/c1-9-12(4-5-20(3)18)19-8-17(9)7-11-6-15-10(2)16-13(11)14;;/h6,8H,4-5,7H2,1-3H3,(H2,14,15,16);2*1H/q+1;;/p-1

InChIKey

VZVFDFSUPAHMEN-UHFFFAOYSA-M

Smiles

s1c[n+](c(c1CC[S@@](=O)C)C)Cc1c(nc(nc1)C)N.[ClH-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 intraperitoneal 1350mg/kg (1350mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. (24), Pg. 13, 1974.
chicken LD50 oral 14800mg/kg (14800mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. (24), Pg. 13, 1974.