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Substance Name: 1H-Imidazole, 1-(3-(4-chlorophenyl)-3-(2,4-dichlorophenyl)oxiranyl)-, mononitrate
RN: 79478-50-5
InChIKey: SHBGVWCXBYITGS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H11-Cl3-N2-O.H-N-O3

Molecular Weight

  • 428.6578
 
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Names and Synonyms

Synonyms

  • 1-(1,2-Epoxy-2-(4-chlorophenyl)-2-(2,4-dichlorophenyl)ethyl)imidazole nitrate
  • 1-(3-(4-Chlorophenyl)-3-(2,4-dichlorophenyl)oxiranyl)-1H-imidazole mononitrate

Systematic Name

  • 1H-Imidazole, 1-(3-(4-chlorophenyl)-3-(2,4-dichlorophenyl)oxiranyl)-, mononitrate

Registry Numbers

CAS Registry Number

  • 79478-50-5

System Generated Number

  • 0079478505

Molecular Formulas

Molecular Formula

  • C17-H11-Cl3-N2-O.H-N-O3

Molecular Formula Fragments

  • C17-H11-Cl3-N2-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C17H11Cl3N2O.HNO3/c18-12-3-1-11(2-4-12)17(14-6-5-13(19)9-15(14)20)16(23-17)22-8-7-21-10-22;2-1(3)4/h1-10,16H;(H,2,3,4)

InChIKey

SHBGVWCXBYITGS-UHFFFAOYSA-N

Smiles

c1cc(ccc1C2(C(O2)n3ccnc3)c4ccc(cc4Cl)Cl)Cl.[N+](=O)(O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0030371,