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Substance Name: 1H-Imidazole, 1-(3-(2,4-dimethylphenyl)-3-phenyloxiranyl)-, mononitrate
RN: 79478-55-0
InChIKey: TWYCHLHCVJDBQU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-N2-O.H-N-O3

Molecular Weight

  • 353.3761
 
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Names and Synonyms

Synonyms

  • 1-(1,2-Epoxy-2-(2,4-dimethylphenyl)-2-phenylethyl)imidazole nitrate
  • 1-(3-(2,4-Dimethylphenyl)-3-phenyloxiranyl)-1H-imidazole mononitrate

Systematic Name

  • 1H-Imidazole, 1-(3-(2,4-dimethylphenyl)-3-phenyloxiranyl)-, mononitrate

Registry Numbers

CAS Registry Number

  • 79478-55-0

System Generated Number

  • 0079478550

Molecular Formulas

Molecular Formula

  • C19-H18-N2-O.H-N-O3

Molecular Formula Fragments

  • C19-H18-N2-O
  • COMPONENT
  • H-N-O3

Structure Descriptors

InChI

1S/C19H18N2O.HNO3/c1-14-8-9-17(15(2)12-14)19(16-6-4-3-5-7-16)18(22-19)21-11-10-20-13-21;2-1(3)4/h3-13,18H,1-2H3;(H,2,3,4)

InChIKey

TWYCHLHCVJDBQU-UHFFFAOYSA-N

Smiles

Cc1ccc(c(c1)C)C2(C(O2)n3ccnc3)c4ccccc4.[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,