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Substance Name: 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-
RN: 62143-85-5
InChIKey: ANWAOTYMMZEURB-ONEGZZNKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H9-N3-O4

Molecular Weight

  • 211.1761
 
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Names and Synonyms

Synonyms

  • (E)-3-(1-Methyl-2-nitro-1H-imidazol-5-yl)-2-propenoic acid methyl ester
  • 5-25-04-00205 (Beilstein Handbook Reference)
  • BRN 0797176
  • Methyl (E)-3-(1-methyl-2-nitro-1H-imidazol-5-yl)-2-propenoate

Systematic Name

  • 2-Propenoic acid, 3-(1-methyl-2-nitro-1H-imidazol-5-yl)-, methyl ester, (E)-

Registry Numbers

CAS Registry Number

  • 62143-85-5

System Generated Number

  • 0062143855

Structure Descriptors

InChI

1S/C8H9N3O4/c1-10-6(3-4-7(12)15-2)5-9-8(10)11(13)14/h3-5H,1-2H3/b4-3+

InChIKey

ANWAOTYMMZEURB-ONEGZZNKSA-N

Smiles

COC(=O)\C=C\c1cnc([N+](=O)[O-])n1C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 656, 1977.