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Substance Name: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, cis-(+-)-, monomethanesulfonate, hydrate
RN: 125197-22-0
InChIKey: CBTZIZOGRLKVTG-XVUIFDSFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-F-N4-O3.C-H4-O3-S.H2-O

Molecular Weight

  • 458.5083
 
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Names and Synonyms

  • 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-4-methyl-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, cis-(+-)-, monomethanesulfonate, hydrate

Registry Numbers

CAS Registry Number

  • 125197-22-0

System Generated Number

  • 0125197220

Molecular Formulas

Molecular Formula

  • C18-H23-F-N4-O3.C-H4-O3-S.H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C18-H23-F-N4-O3
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H23FN4O3.CH4O3S/c1-9-6-22(8-13(9)20)16-12(19)5-10-14(24)11(17(25)26)7-23(15(10)21-16)18(2,3)4;1-5(2,3)4/h5,7,9,13H,6,8,20H2,1-4H3,(H,25,26);1H3,(H,2,3,4)/t9-,13+;/m1./s1

InChIKey

CBTZIZOGRLKVTG-XVUIFDSFSA-N

Smiles

C[C@@H]1CN(C[C@@H]1N)c2c(cc3c(=O)c(cn(c3n2)C(C)(C)C)C(=O)O)F.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 113mg/kg (113mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1344, 1990.
mouse LD50 oral 1250mg/kg (1250mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 1344, 1990.