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Substance Name: 1-Butanesulfonanilide, 4'-(benzo(b)(1,8)naphthyridin-5-ylamino)-3'-methoxy-, hydrochloride, dihydrate
RN: 71802-95-4
InChIKey: ITLKQNHAFXUFIL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-N4-O3-S.Cl-H.2H2-O

Molecular Weight

  • 472.995
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 71802-95-4

System Generated Number

  • 0071802954

Molecular Formulas

Molecular Formula

  • C23-H24-N4-O3-S.Cl-H.2H2-O

Molecular Formula Fragments

  • C23-H24-N4-O3-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H24N4O3S.ClH/c1-3-4-14-31(28,29)27-16-11-12-20(21(15-16)30-2)25-22-17-8-5-6-10-19(17)26-23-18(22)9-7-13-24-23;/h5-13,15,27H,3-4,14H2,1-2H3,(H,24,25,26);1H

InChIKey

ITLKQNHAFXUFIL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 1453, 1979.