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Substance Name: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(4-fluorophenyl)-5-methyl-4-oxo-, hydrochloride, hydrate (1:1:1), (S)-
RN: 138668-61-8
InChIKey: CCNRSJHOFXAZRS-YDALLXLXSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-F2-N4-O3.Cl-H.H2-O

Molecular Weight

  • 436.8441
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 138668-61-8

System Generated Number

  • 0138668618

Molecular Formulas

Molecular Formula

  • C20-H18-F2-N4-O3.Cl-H.H2-O

Molecular Formula Fragments

  • C20-H18-F2-N4-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H18F2N4O3.ClH/c1-10-15-17(27)14(20(28)29)9-26(13-4-2-11(21)3-5-13)18(15)24-19(16(10)22)25-7-6-12(23)8-25;/h2-5,9,12H,6-8,23H2,1H3,(H,28,29);1H/t12-;/m0./s1

InChIKey

CCNRSJHOFXAZRS-YDALLXLXSA-N

Smiles

Cc1c2c(=O)c(cn(c2nc(c1F)N3CC[C@@H](C3)N)c4ccc(cc4)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.