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Substance Name: 4H-1,2,4-Triazole, 3-((4-chloro-3-methylphenoxy)methyl)-5-(4-fluorophenyl)-4-(4-methylphenyl)-
RN: 141079-08-5
InChIKey: RYERIKOGIBUHCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H19-Cl-F-N3-O

Molecular Weight

  • 407.8741
 
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Names and Synonyms

Synonyms

  • 3-((4-Chloro-3-methylphenoxy)methyl)-5-(4-fluorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
  • BRN 5456609

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141079-08-5

System Generated Number

  • 0141079085

Structure Descriptors

InChI

1S/C23H19ClFN3O/c1-15-3-9-19(10-4-15)28-22(14-29-20-11-12-21(24)16(2)13-20)26-27-23(28)17-5-7-18(25)8-6-17/h3-13H,14H2,1-2H3

InChIKey

RYERIKOGIBUHCL-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)n2c(nnc2c3ccc(cc3)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.