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Substance Name: Thiazole, 4-methyl-5-propyl-, 1,2-ethanedisulfonate (2:1)
RN: 29584-86-9
InChIKey: NMAZGWZATLHHQG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H11-N-S.1/2C2-H6-O6-S2

Molecular Weight

  • 472.669
 
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Names and Synonyms

Synonym

  • 4-Methyl-5-propylthiazole 1,2-ethanedisulfonate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 29584-86-9

System Generated Number

  • 0029584869

Molecular Formulas

Molecular Formula

  • C7-H11-N-S.1/2C2-H6-O6-S2

Molecular Formula Fragments

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

Structure Descriptors

InChI

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

InChIKey

NMAZGWZATLHHQG-UHFFFAOYSA-N

Smiles

s1c(c(nc1)C)CCC.C(CS(=O)(=O)O)S(=O)(=O)O.s1cnc(C)c1CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 423, 1970.