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Substance Name: 1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (S)-, monomethanesulfonate
RN: 144043-36-7
InChIKey: OZJRKLIJCGGJEA-FVGYRXGTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-F-N4-O3.C-H4-O3-S

Molecular Weight

  • 444.4815
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 144043-36-7

System Generated Number

  • 0144043367

Molecular Formulas

Molecular Formula

  • C17-H21-F-N4-O3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C17-H21-F-N4-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C17H21FN4O3.CH4O3S/c1-17(2,3)22-8-11(16(24)25)13(23)10-6-12(18)15(20-14(10)22)21-5-4-9(19)7-21;1-5(2,3)4/h6,8-9H,4-5,7,19H2,1-3H3,(H,24,25);1H3,(H,2,3,4)/t9-;/m0./s1

InChIKey

OZJRKLIJCGGJEA-FVGYRXGTSA-N

Smiles

CC(C)(C)N1C=C(C(=O)O)C(=O)c2cc(F)c(nc12)N3CC[C@H](N)C3.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 350mg/kg (350mg/kg)   Journal of Medicinal Chemistry. Vol. 35, Pg. 4205, 1992.