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Substance Name: 1H-Imidazole, 1-(3-(2-chlorophenyl)-3-(4-fluorophenyl)oxiranyl)-, mononitrate
RN: 79478-48-1
InChIKey: RYMKYMGLUIYUNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H12-Cl-F-N2-O.H-N-O3

Molecular Weight

  • 377.7577
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 79478-48-1

System Generated Number

  • 0079478481

Molecular Formulas

Molecular Formula

  • C17-H12-Cl-F-N2-O.H-N-O3

Molecular Formula Fragments

  • C17-H12-Cl-F-N2-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C17H12ClFN2O.HNO3/c18-15-4-2-1-3-14(15)17(12-5-7-13(19)8-6-12)16(22-17)21-10-9-20-11-21;2-1(3)4/h1-11,16H;(H,2,3,4)

InChIKey

RYMKYMGLUIYUNA-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C2(C(O2)n3ccnc3)c4ccc(cc4)F)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,