Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-5-(phenoxymethyl)-
RN: 141079-13-2
InChIKey: HAYHAGYTNISWID-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H14-Cl2-F-N3-O

Molecular Weight

  • 414.2656
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 4-(3-Chloro-4-fluorophenyl)-3-(4-chlorophenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole
  • BRN 5458566

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141079-13-2

System Generated Number

  • 0141079132

Structure Descriptors

InChI

1S/C21H14Cl2FN3O/c22-15-8-6-14(7-9-15)21-26-25-20(13-28-17-4-2-1-3-5-17)27(21)16-10-11-19(24)18(23)12-16/h1-12H,13H2

InChIKey

HAYHAGYTNISWID-UHFFFAOYSA-N

Smiles

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

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.