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Substance Name: Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(methylthio)ethyl)-, chloride, monohydrochloride
RN: 33071-34-0
InChIKey: ZBXGMILJYIHDTH-UHFFFAOYSA-M

Molecular Formula

  • C13-H19-N4-S2.Cl-H.Cl

Molecular Weight

  • 367.367
 
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Names and Synonyms

Synonym

  • Methylthioethylthiamine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 33071-34-0

System Generated Number

  • 0033071340

Molecular Formulas

Molecular Formula

  • C13-H19-N4-S2.Cl-H.Cl

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C13H19N4S2.2ClH/c1-9-12(4-5-18-3)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

ZBXGMILJYIHDTH-UHFFFAOYSA-M

Smiles

s1c[n+](c(c1CCSC)C)Cc1c(nc(nc1)C)N.[ClH-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 intraperitoneal 460mg/kg (460mg/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 8200mg/kg (8200mg/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.