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Substance Name: Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3,5-dinitrophenyl)ethenyl)-, monohydrochloride, (E)-
RN: 100098-75-7
InChIKey: IRTATCDOXIZUHM-BJILWQEISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N3-O5.Cl-H

Molecular Weight

  • 327.7226
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100098-75-7

System Generated Number

  • 0100098757

Molecular Formulas

Molecular Formula

  • C13-H13-N3-O5.Cl-H

Molecular Formula Fragments

  • C13-H13-N3-O5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H13N3O5.ClH/c1-13(2)8-21-12(14-13)4-3-9-5-10(15(17)18)7-11(6-9)16(19)20;/h3-7H,8H2,1-2H3;1H/b4-3+;

InChIKey

IRTATCDOXIZUHM-BJILWQEISA-N

Smiles

CC1(COC(=N1)/C=C/c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 20, Pg. 443, 1985.