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Substance Name: 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-
RN: 67254-83-5
InChIKey: IOALFYAJCVAMHB-ONEGZZNKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H9-N3-O3

Molecular Weight

  • 195.1771
 
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Names and Synonyms

Synonyms

  • 3-Buten-2-one, 4-(1-methyl-2-nitro-1H-imidazol-5-yl)-
  • 4-(1-Methyl-2-nitro-1H-imidazol-5-yl)-3-buten-2-one
  • 5-(2-Acetylvinyl)-1-methyl-2-nitro-1H-imidazole
  • 5-24-02-00240 (Beilstein Handbook Reference)
  • BRN 0746673

Systematic Name

  • 1H-Imidazole, 5-(2-acetylvinyl)-1-methyl-2-nitro-

Registry Numbers

CAS Registry Number

  • 67254-83-5

System Generated Number

  • 0067254835

Structure Descriptors

InChI

1S/C8H9N3O3/c1-6(12)3-4-7-5-9-8(10(7)2)11(13)14/h3-5H,1-2H3/b4-3+

InChIKey

IOALFYAJCVAMHB-ONEGZZNKSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 656, 1977.