Marvin  08021015482D          

 26 27  0  0  0  0            999 V2000
    7.6890   -4.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9729   -5.3969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -4.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2625   -4.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9729   -3.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6948   -4.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5464   -5.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359   -4.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9843   -6.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5464   -3.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3995   -3.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8359   -4.1594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1198   -5.4026    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5776   -6.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4026   -6.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9557   -2.9105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6932   -6.2105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3937   -2.9046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1198   -3.7526    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1214   -4.1307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4093   -4.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1198   -6.2219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979   -6.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6932   -5.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119   -6.3273    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8464   -6.2919    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  1  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  1  1  0  0  0  0
 12 10  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15  9  1  0  0  0  0
 16  5  2  0  0  0  0
 17 23  1  0  0  0  0
 18 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20 11  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
  3  4  2  0  0  0  0
 15 14  1  0  0  0  0
 12  8  1  0  0  0  0
 24 17  1  0  0  0  0
M  END
> <ID>
CHEBI:59938

> <NAME>
ciprofloxacin dihydrochloride

> <DEFINITION>
The dihydrochloride salt of ciprofloxacin.

> <STAR>
3

> <SYNONYM>
1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid dihydrochloride

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

> <FORMULA>
C17H20Cl2FN3O3

> <MASS>
404.26300

> <MONOISOTOPIC_MASS>
403.08658

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C17H18FN3O3.2ClH/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);2*1H

> <INCHIKEY>
PWRKLYZVCZMDTC-UHFFFAOYSA-N

$$$$