Ketcher 07031515142D 1   1.00000     0.00000     0

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  4  5  2  0     0  0
  4  9  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
 10  9  1  0     0  0
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 21 22  1  0     0  0
  5 21  1  0     0  0
 17 23  1  1     0  0
 19 24  1  1     0  0
 25  7  1  0     0  0
 26 12  1  0     0  0
  3 26  1  0     0  0
 27 26  2  0     0  0
  2 11  2  0     0  0
  1  6  1  0     0  0
 28  4  1  0     0  0
M  END
> <ID>
CHEBI:9212

> <NAME>
sparfloxacin

> <STAR>
3

> <SYNONYM>
Sparfloxacin; cis-5-Amino-1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

> <IUPAC_NAME>
5-amino-1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

> <FORMULA>
C19H22F2N4O3

> <MASS>
392.39980

> <MONOISOTOPIC_MASS>
392.16600

> <CHARGE>
0

> <SMILES>
C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1

> <INCHI>
InChI=1S/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+

> <INCHIKEY>
DZZWHBIBMUVIIW-DTORHVGOSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3658018

> <CAS_REGISTRY_NUMBER>
110871-86-8

> <CHEMIDPLUS>
110871-86-8

> <DRUGBANK_ACCESSION>
DB01208

> <KEGG_COMPOUND_ACCESSION>
C07662

> <KEGG_DRUG_ACCESSION>
D00590

> <LINCS_ACCESSION>
LSM-5251

> <WIKIPEDIA_ACCESSION>
Sparfloxacin

$$$$