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Substance Name: Thiazole, 5-isobutyl-4-methyl-, 1,2-ethanedisulfonate (2:1)
RN: 29584-88-1
InChIKey: WKZJSEBQJMMTFQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C2-H6-O6-S2.2C8-H13-N-S

Molecular Weight

  • 500.723
 
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Names and Synonyms

Synonyms

  • 1,2-Ethanedisulfonic acid, compd. with 5-isobutyl-4-methylthiazole (1:2)
  • 5-Isobutyl-4-methylthiazole 1,2-ethanedisulfonate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 29584-88-1

System Generated Number

  • 0029584881

Molecular Formulas

Molecular Formula

  • C2-H6-O6-S2.2C8-H13-N-S

Molecular Formula Fragments

  • C2-H6-O6-S2
  • C8-H13-N-S
  • COMPONENT

Structure Descriptors

InChI

1S/2C8H13NS.C2H6O6S2/c2*1-6(2)4-8-7(3)9-5-10-8;3-9(4,5)1-2-10(6,7)8/h2*5-6H,4H2,1-3H3;1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

WKZJSEBQJMMTFQ-UHFFFAOYSA-N

Smiles

s1c(c(nc1)C)CC(C)C.C(CS(=O)(=O)O)S(=O)(=O)O.s1cnc(c1CC(C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 124mg/kg (124mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 423, 1970.