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Substance Name: Oxazole, 5-(2-chloroethyl)-2,4-dimethyl-, 1,2-ethanedisulfonate (2:1)
RN: 15913-41-4
InChIKey: BBRFEAFWOMIUJU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-Cl2-N2-O2.C2-H6-O6-S2

Molecular Weight

  • 509.425
 
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Names and Synonyms

Synonym

  • 5-(2-Chloroethyl)-2,4-dimethyloxazole ethanedisulfonate (2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 15913-41-4

System Generated Number

  • 0015913414

Molecular Formulas

Molecular Formula

  • C14-H20-Cl2-N2-O2.C2-H6-O6-S2

Molecular Formula Fragments

  • C14-H20-Cl2-N2-O2
  • C2-H6-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C7H10ClNO.C2H6O6S2/c2*1-5-7(3-4-8)10-6(2)9-5;3-9(4,5)1-2-10(6,7)8/h2*3-4H2,1-2H3;1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

BBRFEAFWOMIUJU-UHFFFAOYSA-N

Smiles

C(S(O)(=O)=O)CS(=O)(=O)O.o1c(nc(c1CCCl)C)C.o1c(nc(c1CCCl)C)C

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.