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Substance Name: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(4-chlorophenyl)-
RN: 141079-18-7
InChIKey: DVZTZYFPYMYSHJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H15-Cl3-F-N3-O

Molecular Weight

  • 462.7375
 
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Names and Synonyms

Synonym

  • BRN 5461030

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141079-18-7

System Generated Number

  • 0141079187

Structure Descriptors

InChI

1S/C22H15Cl3FN3O/c1-13-10-17(7-8-18(13)24)30-12-21-27-28-22(14-2-4-15(23)5-3-14)29(21)16-6-9-20(26)19(25)11-16/h2-11H,12H2,1H3

InChIKey

DVZTZYFPYMYSHJ-UHFFFAOYSA-N

Smiles

Cc1cc(ccc1Cl)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.