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Substance Name: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(4-methoxyphenyl)-
RN: 141079-17-6
InChIKey: KTIPYVLSGRIECW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H18-Cl2-F-N3-O2

Molecular Weight

  • 458.3182
 
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Names and Synonyms

Synonym

  • BRN 5462686

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141079-17-6

System Generated Number

  • 0141079176

Structure Descriptors

InChI

1S/C23H18Cl2FN3O2/c1-14-11-18(8-9-19(14)24)31-13-22-27-28-23(15-3-6-17(30-2)7-4-15)29(22)16-5-10-21(26)20(25)12-16/h3-12H,13H2,1-2H3

InChIKey

KTIPYVLSGRIECW-UHFFFAOYSA-N

Smiles

Cc1cc(ccc1Cl)OCc2nnc(n2c3ccc(c(c3)Cl)F)c4ccc(cc4)OC

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.