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Substance Name: Ethanone, 1-(4-bromophenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)-
RN: 140405-98-7
InChIKey: LLTZKXSAGQIZRZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H18-Br-N3-O4-S

Molecular Weight

  • 464.3382
 
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Names and Synonyms

Synonyms

  • 1-(4-Bromophenyl)-2-((5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-3-yl)thio)ethanone
  • Acetophenone, 4'-bromo-2-(5-(3,4,5-trimethoxyphenyl)-s-triazol-3-yl)thio-
  • BRN 4887163

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 140405-98-7

System Generated Number

  • 0140405987

Structure Descriptors

InChI

1S/C19H18BrN3O4S/c1-25-15-8-12(9-16(26-2)17(15)27-3)18-21-19(23-22-18)28-10-14(24)11-4-6-13(20)7-5-11/h4-9H,10H2,1-3H3,(H,21,22,23)

InChIKey

LLTZKXSAGQIZRZ-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)c2[nH]nc(n2)SCC(=O)c3ccc(cc3)Br

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.