Marvin  03260709192D          
 
 26 29  0  0  0  0            999 V2000
   -0.8793    0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793    0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649    1.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5496    0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785    0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785    0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    1.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5496    0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649   -0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1649   -1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5496   -1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641   -1.2058    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2641   -0.3808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930    1.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6930    2.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4075    0.8567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2641    2.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938    1.2692    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938   -0.3808    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785   -1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3083    0.0317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0228   -0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0228   -1.2058    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3083   -1.6183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5938   -1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7372   -1.6183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13  5  1  0  0  0  0
  6 14  1  0  0  0  0
  5  6  2  0  0  0  0
 14 15  2  0  0  0  0
  6  7  1  0  0  0  0
 14 16  1  0  0  0  0
  7  4  1  0  0  0  0
  7 17  2  0  0  0  0
  3  1  2  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1  2  1  0  0  0  0
 12 20  1  0  0  0  0
  2  9  2  0  0  0  0
  4  3  1  0  0  0  0
  4  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 19  1  0  0  0  0
 10 11  1  0  0  0  0
 23 26  1  0  0  0  0
M  END
> <ID>
CHEBI:31889

> <NAME>
nadifloxacin

> <STAR>
3

> <SYNONYM>
OPC-7251; NDFX; Nadifloxacin; Acuatim

> <IUPAC_NAME>
9-fluoro-8-(4-hydroxypiperidin-1-yl)-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid

> <FORMULA>
C19H21FN2O4

> <MASS>
360.37952

> <MONOISOTOPIC_MASS>
360.14854

> <CHARGE>
0

> <SMILES>
CC1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O

> <INCHI>
InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)

> <INCHIKEY>
JYJTVFIEFKZWCJ-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4212500

> <CAS_REGISTRY_NUMBER>
124858-35-1

> <CHEMIDPLUS>
124858-35-1

> <KEGG_DRUG_ACCESSION>
D01147

> <LINCS_ACCESSION>
LSM-5007

$$$$