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Substance Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-
RN: 117258-26-1
InChIKey: VYYKTEDPJVSKLQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N3-O3

Molecular Weight

  • 291.3489
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-3H-1,2,4-triazol-3-one
  • BRN 4198003

Systematic Name

  • 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(3-butoxy-4-methoxyphenyl)-2,4-dimethyl-

Registry Numbers

CAS Registry Number

  • 117258-26-1

System Generated Number

  • 0117258261

Structure Descriptors

InChI

1S/C15H21N3O3/c1-5-6-9-21-13-10-11(7-8-12(13)20-4)14-16-18(3)15(19)17(14)2/h7-8,10H,5-6,9H2,1-4H3

InChIKey

VYYKTEDPJVSKLQ-UHFFFAOYSA-N

Smiles

CCCCOc1cc(ccc1OC)c2nn(c(=O)n2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 2772, 1990.