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Substance Name: 4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-
RN: 141078-93-5
InChIKey: HADQMNWSGVMPFX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H18-Cl-N3-O

Molecular Weight

  • 375.8572
 
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Names and Synonyms

Synonyms

  • 3-(4-Chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole
  • BRN 5452874

Systematic Name

  • 4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-(4-methylphenyl)-5-(phenoxymethyl)-

Registry Numbers

CAS Registry Number

  • 141078-93-5

System Generated Number

  • 0141078935

Structure Descriptors

InChI

1S/C22H18ClN3O/c1-16-7-13-19(14-8-16)26-21(15-27-20-5-3-2-4-6-20)24-25-22(26)17-9-11-18(23)12-10-17/h2-14H,15H2,1H3

InChIKey

HADQMNWSGVMPFX-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)n2c(nnc2c3ccc(cc3)Cl)COc4ccccc4

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.