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Substance Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-ethoxy-3,5-dimethoxyphenyl)-4-methyl-
RN: 108132-89-4
InChIKey: RKWDICWQTLBQNN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N3-O4

Molecular Weight

  • 279.2943
 
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Names and Synonyms

Synonyms

  • 2,4-Dihydro-5-(4-ethoxy-3,5-dimethoxyphenyl)-4-methyl-3H-1,2,4-triazol-3-one
  • BRN 5983785

Systematic Name

  • 3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-(4-ethoxy-3,5-dimethoxyphenyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 108132-89-4

System Generated Number

  • 0108132894

Structure Descriptors

InChI

1S/C13H17N3O4/c1-5-20-11-9(18-3)6-8(7-10(11)19-4)12-14-15-13(17)16(12)2/h6-7H,5H2,1-4H3,(H,15,17)

InChIKey

RKWDICWQTLBQNN-UHFFFAOYSA-N

Smiles

CCOc1c(cc(cc1OC)c2n[nH]c(=O)n2C)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 400mg/kg (400mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 21, Pg. 277, 1986.
mammal (species unspecified) LD50 oral > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 21, Pg. 277, 1986.