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Substance Name: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)-5-(phenoxymethyl)-
RN: 141079-12-1
InChIKey: ALWNOJZEHVQWJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H17-Cl-F-N3-O

Molecular Weight

  • 393.8473
 
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Names and Synonyms

Synonyms

  • 4-(3-Chloro-4-fluorophenyl)-3-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole
  • BRN 5457219

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141079-12-1

System Generated Number

  • 0141079121

Structure Descriptors

InChI

1S/C22H17ClFN3O/c1-15-7-9-16(10-8-15)22-26-25-21(14-28-18-5-3-2-4-6-18)27(22)17-11-12-20(24)19(23)13-17/h2-13H,14H2,1H3

InChIKey

ALWNOJZEHVQWJO-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c2nnc(n2c3ccc(c(c3)Cl)F)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.