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Substance Name: Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)-, monohydrochloride, (E)-
RN: 100098-77-9
InChIKey: NWWWVRXFMWRQAM-UHDJGPCESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H14-N2-O3.Cl-H

Molecular Weight

  • 282.7255
 
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Names and Synonyms

Synonyms

  • (E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride
  • (E)-4,5-Dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)oxazole monohydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100098-77-9

System Generated Number

  • 0100098779

Molecular Formulas

Molecular Formula

  • C13-H14-N2-O3.Cl-H

Molecular Formula Fragments

  • C13-H14-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H14N2O3.ClH/c1-13(2)9-18-12(14-13)7-6-10-4-3-5-11(8-10)15(16)17;/h3-8H,9H2,1-2H3;1H/b7-6+;

InChIKey

NWWWVRXFMWRQAM-UHDJGPCESA-N

Smiles

CC1(COC(=N1)/C=C/c2cccc(c2)[N+](=O)[O-])C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 100mg/kg (100mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 443, 1985.