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Substance Name: 4H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-
RN: 141079-02-9
InChIKey: QAXGDYYCZYWMTD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H20-F-N3-O

Molecular Weight

  • 373.429
 
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Names and Synonyms

Synonyms

  • 3-(4-Fluorophenyl)-5-((4-methylphenoxy)methyl)-4-(4-methylphenyl)-4H-1,2,4-triazole
  • BRN 5454052

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 141079-02-9

System Generated Number

  • 0141079029

Structure Descriptors

InChI

1S/C23H20FN3O/c1-16-3-11-20(12-4-16)27-22(15-28-21-13-5-17(2)6-14-21)25-26-23(27)18-7-9-19(24)10-8-18/h3-14H,15H2,1-2H3

InChIKey

QAXGDYYCZYWMTD-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)n2c(nnc2c3ccc(cc3)F)COc4ccc(cc4)C

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.