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Substance Name: Ethanone, 2-((5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenyl-
RN: 140406-03-7
InChIKey: KMAYUWKUDSJVAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H13-N3-O3-S

Molecular Weight

  • 339.3737
 
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Names and Synonyms

Synonyms

  • 2-((5-(1,3-Benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl)thio)-1-phenylethanone
  • BRN 4881480

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 140406-03-7

System Generated Number

  • 0140406037

Structure Descriptors

InChI

1S/C17H13N3O3S/c21-13(11-4-2-1-3-5-11)9-24-17-18-16(19-20-17)12-6-7-14-15(8-12)23-10-22-14/h1-8H,9-10H2,(H,18,19,20)

InChIKey

KMAYUWKUDSJVAY-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)CSc2nc([nH]n2)c3ccc4c(c3)OCO4

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.