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Substance Name: Oxazole, 5-(2-bromoethyl)-4-methyl-, 1,2-ethanedisulfonate (2:1)
RN: 15913-39-0
InChIKey: FSNRAACWEDVUQB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-Br2-N2-O2.C2-H6-O6-S2

Molecular Weight

  • 570.274
 
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Names and Synonyms

Synonym

  • 5-(2-Bromoethyl)-4-methyloxazole ethanedisulfonate (2:1)

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 15913-39-0

System Generated Number

  • 0015913390

Molecular Formulas

Molecular Formula

  • C12-H16-Br2-N2-O2.C2-H6-O6-S2

Molecular Formula Fragments

  • C12-H16-Br2-N2-O2
  • C2-H6-O6-S2
  • COMPONENT

Structure Descriptors

InChI

1S/2C6H8BrNO.C2H6O6S2/c2*1-5-6(2-3-7)9-4-8-5;3-9(4,5)1-2-10(6,7)8/h2*4H,2-3H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)

InChIKey

FSNRAACWEDVUQB-UHFFFAOYSA-N

Smiles

o1cnc(c1CCBr)C.C(CS(=O)(=O)O)S(=O)(=O)O.o1c(CCBr)c(C)nc1

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.