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Substance Name: Benzoic acid, 4-(2-(4-chlorophenyl)-3-(1H-imidazol-1-yl)oxiranyl)-
RN: 79478-70-9
InChIKey: YFMRQHZBFIVEBI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H13-Cl-N2-O3

Molecular Weight

  • 340.7647
 
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Names and Synonyms

Synonyms

  • 1-(1,2-Epoxy-2-(4-chlorophenyl)-2-(4-carboxyphenyl)ethyl)imidazole
  • 4-(2-(4-Chlorophenyl)-3-(1H-imidazol-1-yl)oxiranyl)benzoic acid

Systematic Name

  • Benzoic acid, 4-(2-(4-chlorophenyl)-3-(1H-imidazol-1-yl)oxiranyl)-

Registry Numbers

CAS Registry Number

  • 79478-70-9

System Generated Number

  • 0079478709

Structure Descriptors

InChI

1S/C18H13ClN2O3/c19-15-7-5-14(6-8-15)18(17(24-18)21-10-9-20-11-21)13-3-1-12(2-4-13)16(22)23/h1-11,17H,(H,22,23)

InChIKey

YFMRQHZBFIVEBI-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)O)C2(C(O2)n3ccnc3)c4ccc(cc4)Cl

Toxicity

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