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Substance Name: Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-
RN: 1008-49-7
InChIKey: IYTZFCYXBYJPPR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H6-N4-O2

Molecular Weight

  • 166.139
 
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Names and Synonyms

Synonyms

  • 1-(Cyanomethyl)-2-methyl-5-nitroimidazole
  • 5-23-05-00075 (Beilstein Handbook Reference)
  • BRN 0612250

Systematic Name

  • Imidazole, 1-(cyanomethyl)-2-methyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 1008-49-7

System Generated Number

  • 0001008497

Structure Descriptors

InChI

1S/C6H6N4O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,3H2,1H3

InChIKey

IYTZFCYXBYJPPR-UHFFFAOYSA-N

Smiles

c1(n(c(C)nc1)CC#N)[N+]([O-])=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 167, 1968.