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Substance Name: Ethanone, 1-(4-methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)-
RN: 140405-99-8
InChIKey: XDOYTAWYHCHNPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N3-O4-S

Molecular Weight

  • 399.4689
 
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Names and Synonyms

Synonyms

  • 1-(4-Methylphenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-2-yl)thio)ethanone
  • BRN 4886133

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 140405-99-8

System Generated Number

  • 0140405998

Structure Descriptors

InChI

1S/C20H21N3O4S/c1-12-5-7-13(8-6-12)15(24)11-28-20-21-19(22-23-20)14-9-16(25-2)18(27-4)17(10-14)26-3/h5-10H,11H2,1-4H3,(H,21,22,23)

InChIKey

XDOYTAWYHCHNPJ-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)C(=O)CSc2nc([nH]n2)c3cc(c(c(c3)OC)OC)OC

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.