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Substance Name: Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate
RN: 29584-87-0
InChIKey: KTTTVOYTUHNAJW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H11-N-S.C2-H6-O6-S2.H2-O

Molecular Weight

  • 472.669
 
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Names and Synonyms

Synonym

  • 5-Isopropyl-4-methylthiazole 1,2-ethanedisulfonate hydrate

Systematic Name

  • Thiazole, 5-isopropyl-4-methyl-, 1,2-ethanedisulfonate (1:1), hydrate

Registry Numbers

CAS Registry Number

  • 29584-87-0

System Generated Number

  • 0029584870

Molecular Formulas

Molecular Formula

  • C7-H11-N-S.C2-H6-O6-S2.H2-O

Molecular Formula Fragments

  • C2-H6-O6-S2
  • C7-H11-N-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C7H11NS.C2H6O6S2/c2*1-5(2)7-6(3)8-4-9-7;3-9(4,5)1-2-10(6,7)8/h2*4-5H,1-3H3;1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

KTTTVOYTUHNAJW-UHFFFAOYSA-N

Smiles

s1c(c(nc1)C)C(C)C.C(CS(=O)(=O)O)S(=O)(=O)O.s1cnc(C)c1C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 164mg/kg (164mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 423, 1970.