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Substance Name: 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)
RN: 18067-31-7
InChIKey: UULQYTJKALLOJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C2-H6-O6-S2.C10-H12-Cl2-N2-O2

Molecular Weight

  • 453.318
 
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Names and Synonyms

Synonym

  • 5-Chloromethyl-4-methyloxazole compd. with 1,2-ethanedisulfonic acid (2:1)

Systematic Name

  • 1,2-Ethanedisulfonic acid, compd. with 5-(chloromethyl)-4-methyloxazole (1:2)

Registry Numbers

CAS Registry Number

  • 18067-31-7

System Generated Number

  • 0018067317

Molecular Formulas

Molecular Formula

  • C2-H6-O6-S2.C10-H12-Cl2-N2-O2

Molecular Formula Fragments

  • C10-H12-Cl2-N2-O2
  • C2-H6-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C5H6ClNO.C2H6O6S2/c2*1-4-5(2-6)8-3-7-4;3-9(4,5)1-2-10(6,7)8/h2*3H,2H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

UULQYTJKALLOJO-UHFFFAOYSA-N

Smiles

o1cnc(c1CCl)C.C(CS(=O)(=O)O)S(=O)(=O)O.o1c(CCl)c(C)nc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Acta Pharmaceutica Suecica. Vol. 4, Pg. 269, 1967.