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Substance Name: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-
RN: 138668-60-7
InChIKey: HVLQDVSPNHQPCM-YDALLXLXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H19-F3-N4-O3.Cl-H

Molecular Weight

  • 468.861
 
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Names and Synonyms

  • 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-(methylamino)-1-pyrrolidinyl)-4-oxo-, monohydrochloride, (S)-

Registry Numbers

CAS Registry Number

  • 138668-60-7

System Generated Number

  • 0138668607

Molecular Formulas

Molecular Formula

  • C21-H19-F3-N4-O3.Cl-H

Molecular Formula Fragments

  • C21-H19-F3-N4-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H19F3N4O3.ClH/c1-10-16-18(29)13(21(30)31)9-28(15-4-3-11(22)7-14(15)23)19(16)26-20(17(10)24)27-6-5-12(8-27)25-2;/h3-4,7,9,12,25H,5-6,8H2,1-2H3,(H,30,31);1H/t12-;/m0./s1

InChIKey

HVLQDVSPNHQPCM-YDALLXLXSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 94mg/kg (94mg/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.