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Substance Name: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-
RN: 141079-14-3
InChIKey: WCSGQJGQMHZRPC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H14-Cl-F2-N3-O

Molecular Weight

  • 397.8106
 
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Names and Synonyms

Synonyms

  • 4-(3-Chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole
  • BRN 5458558

Systematic Name

  • 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-5-(phenoxymethyl)-

Registry Numbers

CAS Registry Number

  • 141079-14-3

System Generated Number

  • 0141079143

Structure Descriptors

InChI

1S/C21H14ClF2N3O/c22-18-12-16(10-11-19(18)24)27-20(13-28-17-4-2-1-3-5-17)25-26-21(27)14-6-8-15(23)9-7-14/h1-12H,13H2

InChIKey

WCSGQJGQMHZRPC-UHFFFAOYSA-N

Smiles

c1ccc(cc1)OCc2nnc(n2c3ccc(c(c3)Cl)F)c4ccc(cc4)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 31, Pg. 289, 1992.