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Substance Name: Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide
RN: 134826-63-4
InChIKey: VJDMCRQDYCTCJS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H12-N2-O3-S.Br-H

Molecular Weight

  • 405.2707
 
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Names and Synonyms

Synonym

  • 1-(4-Nitrophenyl)-2-(2-quinolinylthio)ethanone monohydrobromide

Systematic Name

  • Ethanone, 1-(4-nitrophenyl)-2-(2-quinolinylthio)-, monohydrobromide

Registry Numbers

CAS Registry Number

  • 134826-63-4

System Generated Number

  • 0134826634

Molecular Formulas

Molecular Formula

  • C17-H12-N2-O3-S.Br-H

Molecular Formula Fragments

  • Br-H
  • C17-H12-N2-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C17H12N2O3S.BrH/c20-16(13-5-8-14(9-6-13)19(21)22)11-23-17-10-7-12-3-1-2-4-15(12)18-17;/h1-10H,11H2;1H

InChIKey

VJDMCRQDYCTCJS-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)ccc(n2)SCC(=O)c3ccc(cc3)[N+](=O)[O-].Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 202mg/kg (202mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 240, 1991.