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Substance Name: Imidazole-1-acetic acid, 2-methyl-4-nitro-, ethyl ester
RN: 13230-22-3
InChIKey: XMPREPGUGSKZIE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-N3-O4

Molecular Weight

  • 213.192
 
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Names and Synonyms

Synonyms

  • 2-Methyl-4-nitroimidazole-1-acetic acid, ethyl ester
  • 5-23-05-00083 (Beilstein Handbook Reference)
  • BRN 0617038

Systematic Name

  • Imidazole-1-acetic acid, 2-methyl-4-nitro-, ethyl ester

Registry Numbers

CAS Registry Number

  • 13230-22-3

System Generated Number

  • 0013230223

Structure Descriptors

InChI

1S/C8H11N3O4/c1-3-15-8(12)5-10-4-7(11(13)14)9-6(10)2/h4H,3,5H2,1-2H3

InChIKey

XMPREPGUGSKZIE-UHFFFAOYSA-N

Smiles

n1(cc([N+](=O)[O-])nc1C)CC(OCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6500mg/kg (6500mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 167, 1968.