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Substance Name: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(2,5-diazabicyclo(2.2.2)oct-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, monohydrochloride, (+-)-
RN: 138668-57-2
InChIKey: WZPJEHNEEUMGGA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H19-F3-N4-O3.Cl-H

Molecular Weight

  • 480.872
 
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Names and Synonyms

Synonym

  • BMY 43748

Systematic Name

  • 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(2,5-diazabicyclo(2.2.2)oct-2-yl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, monohydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 138668-57-2

System Generated Number

  • 0138668572

Molecular Formulas

Molecular Formula

  • C22-H19-F3-N4-O3.Cl-H

Molecular Formula Fragments

  • C22-H19-F3-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H19F3N4O3.ClH/c1-10-17-19(30)14(22(31)32)9-29(16-5-2-11(23)6-15(16)24)20(17)27-21(18(10)25)28-8-12-3-4-13(28)7-26-12;/h2,5-6,9,12-13,26H,3-4,7-8H2,1H3,(H,31,32);1H

InChIKey

WZPJEHNEEUMGGA-UHFFFAOYSA-N

Smiles

Cc1c2c(=O)c(cn(c2nc(c1F)N3CC4CCC3CN4)c5ccc(cc5F)F)C(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 518, 1992.
mouse LD50 oral 2500mg/kg (2500mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 518, 1992.