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Substance Name: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-5-(3,4,5-trimethoxyphenyl)-
RN: 108132-90-7
InChIKey: BEMDHKBKWZBRST-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-4-ethyl-5-(3,4,5-trimethoxyphenyl)-3H-1,2,4-triazol-3-one
  • BRN 5976544

Systematic Name

  • 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-ethyl-5-(3,4,5-trimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 108132-90-7

System Generated Number

  • 0108132907

Structure Descriptors

InChI

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

InChIKey

BEMDHKBKWZBRST-UHFFFAOYSA-N

Smiles

CCn1c(n[nH]c1=O)c2cc(c(c(c2)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal 300mg/kg (300mg/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.