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Substance Name: Oxazole, 4,5-dihydro-2-(2-(3-bromophenyl)ethenyl)-4,4-dimethyl-, hydrochloride, (E)-
RN: 100098-76-8
InChIKey: XSTLOJKNVYBVBO-UHDJGPCESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-Br-N-O.Cl-H

Molecular Weight

  • 316.6245
 
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Names and Synonyms

Synonyms

  • (E)-2-(3-Bromostyryl)-4,4-dimethyl-2-oxazoline hydrochloride
  • (E)-4,5-Dihydro-2-(2-(3-bromophenyl)ethenyl)-4,4-dimethyloxazole hydrochloride

Systematic Name

  • Oxazole, 4,5-dihydro-2-(2-(3-bromophenyl)ethenyl)-4,4-dimethyl-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 100098-76-8

System Generated Number

  • 0100098768

Molecular Formulas

Molecular Formula

  • C13-H14-Br-N-O.Cl-H

Molecular Formula Fragments

  • C13-H14-Br-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14BrNO.ClH/c1-13(2)9-16-12(15-13)7-6-10-4-3-5-11(14)8-10;/h3-8H,9H2,1-2H3;1H/b7-6+;

InChIKey

XSTLOJKNVYBVBO-UHDJGPCESA-N

Smiles

CC1(COC(=N1)/C=C/c2cccc(c2)Br)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 310mg/kg (310mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 443, 1985.