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Substance Name: 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate
RN: 130435-61-9
InChIKey: FMIGMPZPCRMGJC-PPHPATTJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-F2-N3-O3.C-H4-O3-S

Molecular Weight

  • 461.4835
 
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Names and Synonyms

  • 3-Quinolinecarboxylic acid, 1,4-dihydro-7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-4-oxo-, (S)-, monomethanesulfonate
  • 3-Quinolinecarboxylic acid, 7-(3-amino-1-pyrrolidinyl)-6-fluoro-1-(2-fluoro-1,1-dimethylethyl)-1,4-dihydro-4-oxo-, (S)-, monomethane sulfonate

Registry Numbers

CAS Registry Number

  • 130435-61-9

System Generated Number

  • 0130435619

Molecular Formulas

Molecular Formula

  • C18-H21-F2-N3-O3.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C18-H21-F2-N3-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21F2N3O3.CH4O3S/c1-18(2,9-19)23-8-12(17(25)26)16(24)11-5-13(20)15(6-14(11)23)22-4-3-10(21)7-22;1-5(2,3)4/h5-6,8,10H,3-4,7,9,21H2,1-2H3,(H,25,26);1H3,(H,2,3,4)/t10-;/m0./s1

InChIKey

FMIGMPZPCRMGJC-PPHPATTJSA-N

Smiles

CC(C)(CF)n1cc(c(=O)c2c1cc(c(c2)F)N3CC[C@@H](C3)N)C(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 169mg/kg (169mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 29, 1991.
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 29, 1991.