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Substance Name: 4H-1,2,4-Triazole, 3,4-bis(4-methylphenyl)-5-(phenoxymethyl)-
RN: 141078-91-3
InChIKey: COUDQTUIYPPCAD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H21-N3-O

Molecular Weight

  • 355.4389
 
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Names and Synonyms

Synonyms

  • 3,4-Bis(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole
  • 5-Phenoxymethyl-3,4-di(p-tolyl)-1,2,4-triazole
  • BRN 5451359

Systematic Name

  • 4H-1,2,4-Triazole, 3,4-bis(4-methylphenyl)-5-(phenoxymethyl)-

Registry Numbers

CAS Registry Number

  • 141078-91-3

System Generated Number

  • 0141078913

Structure Descriptors

InChI

1S/C23H21N3O/c1-17-8-12-19(13-9-17)23-25-24-22(16-27-21-6-4-3-5-7-21)26(23)20-14-10-18(2)11-15-20/h3-15H,16H2,1-2H3

InChIKey

COUDQTUIYPPCAD-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c2nnc(n2c3ccc(cc3)C)COc4ccccc4

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.