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Substance Name: Thiazole, 5-ethyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)
RN: 31892-69-0
InChIKey: UAQIRGVDLZJZRP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H11-N-S.1/2C2-H6-O6-S2

Molecular Weight

  • 568.757
 
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Names and Synonyms

Synonyms

  • 1,2-Ethanedisulfonic acid, compd. with 5-ethyl-4-phenylthiazole (1:2)
  • 5-Ethyl-4-phenylthiazole 1,2-ethanedisulfonate (2:1)

Systematic Name

  • Thiazole, 5-ethyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)

Registry Numbers

CAS Registry Number

  • 31892-69-0

System Generated Number

  • 0031892690

Molecular Formulas

Molecular Formula

  • C11-H11-N-S.1/2C2-H6-O6-S2

Molecular Formula Fragments

  • C11-H11-N-S
  • C2-H6-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C11H11NS.C2H6O6S2/c2*1-2-10-11(12-8-13-10)9-6-4-3-5-7-9;3-9(4,5)1-2-10(6,7)8/h2*3-8H,2H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

UAQIRGVDLZJZRP-UHFFFAOYSA-N

Smiles

s1cnc(c2ccccc2)c1CC.C(CS(=O)(=O)O)S(=O)(=O)O.s1c(CC)c(c2ccccc2)nc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 65mg/kg (65mg/kg)   Acta Pharmaceutica Suecica. Vol. 8, Pg. 49, 1971.