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Substance Name: Oxazole, 5-(2-chloroethyl)-4-methyl-2-phenyl-, 1,2-ethanedisulfonate (2:1)
RN: 17944-56-8
InChIKey: JWQGDOBKQIOGOX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H24-Cl2-N2-O2.C2-H6-O6-S2

Molecular Weight

  • 633.567
 
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Names and Synonyms

Synonym

  • 5-(2-Chloroethyl)-4-methyl-2-phenyloxazole ethanedisulfonate (2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 17944-56-8

System Generated Number

  • 0017944568

Molecular Formulas

Molecular Formula

  • C24-H24-Cl2-N2-O2.C2-H6-O6-S2

Molecular Formula Fragments

  • C2-H6-O6-S2
  • C24-H24-Cl2-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C12H12ClNO.C2H6O6S2/c2*1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10;3-9(4,5)1-2-10(6,7)8/h2*2-6H,7-8H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

JWQGDOBKQIOGOX-UHFFFAOYSA-N

Smiles

o1c(c2ccccc2)nc(C)c1CCCl.C(CS(=O)(=O)O)S(=O)(=O)O.o1c(c(C)nc1c1ccccc1)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Acta Pharmaceutica Suecica. Vol. 4, Pg. 269, 1967.