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Substance Name: 1-Hexanesulfonanilide, 4'-(benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-, hydrochloride, hemihydrate
RN: 71802-97-6
InChIKey: SQMCFCINUYGGDV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H28-N4-O3-S.Cl-H.1/2H2-O

Molecular Weight

  • 501.048
 
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Names and Synonyms

Synonym

  • 4'-(Benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-1-hexanesulfonanilide HCl hemihydrate

Systematic Name

  • 1-Hexanesulfonanilide, 4'-(benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 71802-97-6

System Generated Number

  • 0071802976

Molecular Formulas

Molecular Formula

  • C25-H28-N4-O3-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C25-H28-N4-O3-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C25H28N4O3S.ClH/c1-3-4-5-8-16-33(30,31)29-18-13-14-22(23(17-18)32-2)27-24-19-10-6-7-12-21(19)28-25-20(24)11-9-15-26-25;/h6-7,9-15,17,29H,3-5,8,16H2,1-2H3,(H,26,27,28);1H

InChIKey

SQMCFCINUYGGDV-UHFFFAOYSA-N

Smiles

c1(c2c(nc3c1cccn3)cccc2)[NH+]c1c(cc(NS(CCCCCC)(=O)=O)cc1)OC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1453, 1979.