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Substance Name: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(4-methylphenyl)-
RN: 141079-16-5
InChIKey: VRJUAJLWVAKXSG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H18-Cl2-F-N3-O

Molecular Weight

  • 442.3192
 
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Names and Synonyms

Synonym

  • BRN 5460200

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141079-16-5

System Generated Number

  • 0141079165

Structure Descriptors

InChI

1S/C23H18Cl2FN3O/c1-14-3-5-16(6-4-14)23-28-27-22(13-30-18-8-9-19(24)15(2)11-18)29(23)17-7-10-21(26)20(25)12-17/h3-12H,13H2,1-2H3

InChIKey

VRJUAJLWVAKXSG-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c2nnc(n2c3ccc(c(c3)Cl)F)COc4ccc(c(c4)C)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.