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Substance Name: Thieno(2,3-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide
RN: 113387-73-8
InChIKey: XDCAPURAJUSKQF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-N3-O2-S2

Molecular Weight

  • 343.4297
 
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Names and Synonyms

Synonyms

  • 3-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-phenylthieno(2,3-d)isothiazole 1,1-dioxide
  • BRN 5994792

Systematic Name

  • Thieno(2,3-d)isothiazole, 3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-phenyl-, 1,1-dioxide

Registry Numbers

CAS Registry Number

  • 113387-73-8

System Generated Number

  • 0113387738

Structure Descriptors

InChI

1S/C16H13N3O2S2/c1-10-8-11(2)19(17-10)16-15-14(23(20,21)18-16)9-13(22-15)12-6-4-3-5-7-12/h3-9H,1-2H3

InChIKey

XDCAPURAJUSKQF-UHFFFAOYSA-N

Smiles

Cc1cc(n(n1)C2=NS(=O)(=O)c3c2sc(c3)c4ccccc4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 23, Pg. 329, 1988.