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Substance Name: Ethanone, 1-phenyl-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-
RN: 140405-96-5
InChIKey: ISBOYNGQECBOFX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-N3-O4-S

Molecular Weight

  • 385.4421
 
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Names and Synonyms

Synonyms

  • 1-Phenyl-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)ethanone
  • BRN 4884901

Systematic Name

  • Ethanone, 1-phenyl-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-

Registry Numbers

CAS Registry Number

  • 140405-96-5

System Generated Number

  • 0140405965

Structure Descriptors

InChI

1S/C19H19N3O4S/c1-24-15-9-13(10-16(25-2)17(15)26-3)18-20-19(22-21-18)27-11-14(23)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H,20,21,22)

InChIKey

ISBOYNGQECBOFX-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)c2[nH]nc(n2)SCC(=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1200mg/kg (1200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 929, 1991.
mouse LD subcutaneous > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 929, 1991.
rat LD oral > 1200mg/kg (1200mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 929, 1991.
rat LD subcutaneous > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 929, 1991.