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Substance Name: Oxazole, 4,5-dihydro-2-(2-(4-chloro-3-nitrophenyl)ethenyl)-4,4-dimethyl-, monohydrochloride, (E)-
RN: 100098-73-5
InChIKey: NDLWRSZEJCVASX-CVDVRWGVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-Cl-N2-O3.Cl-H

Molecular Weight

  • 317.1706
 
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Names and Synonyms

Synonym

  • (E)-2-(4-Chloro-3-nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride

Systematic Name

  • Oxazole, 4,5-dihydro-2-(2-(4-chloro-3-nitrophenyl)ethenyl)-4,4-dimethyl-, monohydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 100098-73-5

System Generated Number

  • 0100098735

Molecular Formulas

Molecular Formula

  • C13-H13-Cl-N2-O3.Cl-H

Molecular Formula Fragments

  • C13-H13-Cl-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H13ClN2O3.ClH/c1-13(2)8-19-12(15-13)6-4-9-3-5-10(14)11(7-9)16(17)18;/h3-7H,8H2,1-2H3;1H/b6-4+;

InChIKey

NDLWRSZEJCVASX-CVDVRWGVSA-N

Smiles

CC1(COC(=N1)/C=C/c2ccc(c(c2)[N+](=O)[O-])Cl)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 200mg/kg (200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 443, 1985.