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Substance Name: Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)
RN: 31784-93-7
InChIKey: UVLCHFGYCQRMRX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-N-O.1/2C2-H6-O6-S2

Molecular Weight

  • 508.57
 
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Names and Synonyms

Synonyms

  • 1,2-Ethane disulfonic acid, compd. with 5-methyl-4-phenyloxazole (1:2)
  • 5-Methyl-4-phenyloxazole 1,2-ethanedisulfonate (2:1)

Systematic Name

  • Oxazole, 5-methyl-4-phenyl-, 1,2-ethanedisulfonate (2:1)

Registry Numbers

CAS Registry Number

  • 31784-93-7

System Generated Number

  • 0031784937

Molecular Formulas

Molecular Formula

  • C10-H9-N-O.1/2C2-H6-O6-S2

Molecular Formula Fragments

  • C10-H9-N-O
  • C2-H6-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C10H9NO.C2H6O6S2/c2*1-8-10(11-7-12-8)9-5-3-2-4-6-9;3-9(4,5)1-2-10(6,7)8/h2*2-7H,1H3;1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

UVLCHFGYCQRMRX-UHFFFAOYSA-N

Smiles

o1cnc(c2ccccc2)c1C.C(CS(=O)(=O)O)S(=O)(=O)O.o1c(c(c2ccccc2)nc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 225mg/kg (225mg/kg)   Acta Pharmaceutica Suecica. Vol. 8, Pg. 49, 1971.