11280714432D 1   1.00000     0.00000     0

 24 27  0     0  0            999 V2000
    5.4125   -2.6750    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7042   -3.9167    0.0000 N   0  0  3  0  0  0           0  0  0
    3.9875   -2.6792    0.0000 C   0  0  0  0  0  0           0  0  0
    3.9875   -3.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6917   -2.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.4167   -3.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2667   -3.9250    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5542   -3.5125    0.0000 C   0  0  0  0  0  0           0  0  0
    4.7042   -4.7417    0.0000 C   0  0  3  0  0  0           0  0  0
    3.2667   -2.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    6.1250   -2.2542    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5542   -2.6875    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8417   -3.9250    0.0000 N   0  0  3  0  0  0           0  0  0
    4.2917   -5.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1167   -5.4542    0.0000 C   0  0  0  0  0  0           0  0  0
    4.6917   -1.4417    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4167   -4.7417    0.0000 N   0  0  0  0  0  0           0  0  0
    6.1167   -1.4292    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8417   -2.2750    0.0000 F   0  0  0  0  0  0           0  0  0
    6.8417   -2.6667    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8500   -4.7417    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1292   -3.5042    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4167   -3.9167    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1292   -5.1542    0.0000 C   0  0  0  0  0  0           0  0  0
  2  6  1  0     0  0
  3  5  1  0     0  0
  4  2  1  0     0  0
  5  1  1  0     0  0
  6  1  2  0     0  0
  7  4  2  0     0  0
  8  7  1  0     0  0
  9  2  1  0     0  0
 10  3  2  0     0  0
 11  1  1  0     0  0
 12 10  1  0     0  0
 13  8  1  0     0  0
 14  9  1  0     0  0
 15  9  1  0     0  0
 16  5  2  0     0  0
 17 23  1  0     0  0
 18 11  2  0     0  0
 19 12  1  0     0  0
 20 11  1  0     0  0
 21 13  1  0     0  0
 22 13  1  0     0  0
 23 22  1  0     0  0
 24 21  1  0     0  0
  3  4  1  0     0  0
 15 14  1  0     0  0
 12  8  2  0     0  0
 24 17  1  0     0  0
M  END
> <ID>
CHEBI:100241

> <NAME>
ciprofloxacin

> <DEFINITION>
A  quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:102718; CHEBI:41638; CHEBI:3717

> <SYNONYM>
ciprofloxacin; Ciprofloxacin; 1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid; 1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid; 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID; 1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid; 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid

> <IUPAC_NAME>
1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid

> <INN>
ciprofloxacinum; ciprofloxacino; ciprofloxacine; ciprofloxacin

> <FORMULA>
C17H18FN3O3

> <MASS>
331.34150

> <MONOISOTOPIC_MASS>
331.13322

> <CHARGE>
0

> <SMILES>
OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

> <INCHI>
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)

> <INCHIKEY>
MYSWGUAQZAJSOK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3568352

> <CAS_REGISTRY_NUMBER>
85721-33-1

> <REAXYS_REGISTRY_NUMBER>
3568352

> <CHEMIDPLUS>
85721-33-1

> <DRUGBANK_ACCESSION>
DB00537

> <KEGG_COMPOUND_ACCESSION>
C05349

> <KEGG_DRUG_ACCESSION>
D00186

> <LINCS_ACCESSION>
LSM-5226

> <PDBECHEM_ACCESSION>
CPF

> <WIKIPEDIA_ACCESSION>
Ciprofloxacin

> <PUBMED_CITATION>
10397494; 10737746

$$$$