Marvin  11060916592D          

 28 31  0  0  0  0            999 V2000
   13.4653   -4.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4653   -3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8966   -3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1767   -4.7895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7413   -4.7895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2767   -4.8019    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1767   -3.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0381   -4.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8966   -4.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9453   -4.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7413   -3.1293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1767   -5.6132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1949   -5.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6205   -3.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0381   -3.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6068   -4.3026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0188   -5.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7732   -6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5886   -6.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1671   -4.5273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1767   -2.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6205   -2.3138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3141   -3.1376    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.3237   -3.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7039   -6.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0284   -6.9864    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9536   -3.7304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1567   -3.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  9  2  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  8  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  2  0  0  0  0
  9  4  1  0  0  0  0
 10 16  1  0  0  0  0
 11  2  1  0  0  0  0
 12  4  1  0  0  0  0
 13 17  1  0  0  0  0
 14  3  1  0  0  0  0
 15  8  1  0  0  0  0
 16  6  1  0  0  0  0
 17  6  1  0  0  0  0
 18 12  1  0  0  0  0
 19 12  1  0  0  0  0
 20 10  2  0  0  0  0
 21  7  2  0  0  0  0
 22 14  2  0  0  0  0
 23 15  1  0  0  0  0
 24 14  1  0  0  0  0
 25 13  1  0  0  0  0
 26 25  1  0  0  0  0
  7  3  1  0  0  0  0
 11 15  2  0  0  0  0
 19 18  1  0  0  0  0
 13 10  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <ID>
CHEBI:101853

> <NAME>
gemifloxacin

> <DEFINITION>
A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position.

> <STAR>
3

> <IUPAC_NAME>
7-[3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

> <INN>
gemifloxacin

> <FORMULA>
C18H20FN5O4

> <MASS>
389.38090

> <MONOISOTOPIC_MASS>
389.14993

> <CHARGE>
0

> <SMILES>
CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1

> <INCHI>
InChI=1S/C18H20FN5O4/c1-28-22-14-8-23(6-9(14)5-20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)21-17/h4,7,9-10H,2-3,5-6,8,20H2,1H3,(H,26,27)/b22-14+

> <INCHIKEY>
ZRCVYEYHRGVLOC-HYARGMPZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8361408

> <CAS_REGISTRY_NUMBER>
175463-14-6

> <CHEMIDPLUS>
175463-14-6

> <DRUGBANK_ACCESSION>
DB01155

> <KEGG_DRUG_ACCESSION>
D08012

> <WIKIPEDIA_ACCESSION>
Gemifloxacin

$$$$