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Substance Name: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:2), (S)-
RN: 138668-58-3
InChIKey: LYGWSEPMIPHREP-MERQFXBCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-F3-N4-O3.Cl-H.2H2-O

Molecular Weight

  • 454.8342
 
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Names and Synonyms

  • 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:2), (S)-

Registry Numbers

CAS Registry Number

  • 138668-58-3

System Generated Number

  • 0138668583

Molecular Formulas

Molecular Formula

  • C20-H17-F3-N4-O3.Cl-H.2H2-O

Molecular Formula Fragments

  • C20-H17-F3-N4-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H17F3N4O3.ClH/c1-9-15-17(28)12(20(29)30)8-27(14-3-2-10(21)6-13(14)22)18(15)25-19(16(9)23)26-5-4-11(24)7-26;/h2-3,6,8,11H,4-5,7,24H2,1H3,(H,29,30);1H/t11-;/m0./s1

InChIKey

LYGWSEPMIPHREP-MERQFXBCSA-N

Smiles

Cc1c2c(=O)c(cn(c2nc(c1F)N3CC[C@@H](C3)N)c4ccc(cc4F)F)C(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 84mg/kg (84mg/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.