KEGG   COMPOUND: C11234Help
Entry
C11234                      Compound                               

Name
Difloxacin
Formula
C21H19F2N3O3
Exact mass
399.1394
Mol weight
399.3907
Structure
Mol fileKCF fileDB search
Remark
Same as: D07828
Other DBs
CAS: 98106-17-3
PubChem: 13413
ChEBI: 4537
ChEMBL: CHEMBL6259
NIKKAJI: J22.039F
LinkDB All DBs
KCF data Show

ATOM        29
            1   C8y C    30.9306  -14.0565
            2   C8y C    30.9306  -12.6641
            3   N4y N    32.1593  -14.7528
            4   C8x C    29.7021  -14.7528
            5   C8y C    32.1593  -11.9620
            6   C8x C    29.7021  -11.9620
            7   C8x C    33.3879  -14.0565
            8   C8y C    32.1534  -16.1627
            9   C8y C    28.4793  -14.0565
            10  C8y C    33.3879  -12.6641
            11  O5x O    32.1534  -10.5462
            12  C8y C    28.4793  -12.6641
            13  N1y N    27.2682  -14.7352
            14  C6a C    34.6047  -11.9503
            15  X   F    27.2682  -11.9797
            16  C1x C    26.0629  -14.0331
            17  C1x C    27.2682  -16.1218
            18  O6a O    35.8275  -12.6524
            19  O6a O    34.5990  -10.5346
            20  C1x C    24.8578  -14.7352
            21  C1x C    26.0688  -16.8179
            22  N1y N    24.8578  -16.1276
            23  C8x C    30.9629  -16.8432
            24  C8x C    30.9567  -18.2458
            25  C8y C    32.1684  -18.9525
            26  C8x C    33.3590  -18.2720
            27  C8x C    33.3651  -16.8693
            28  X   F    32.2323  -20.3447
            29  C1a C    23.6585  -16.8248
BOND        32
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    9  13 1
            13   10  14 1
            14   12  15 1
            15   13  16 1
            16   13  17 1
            17   14  18 1
            18   14  19 2
            19   16  20 1
            20   17  21 1
            21   20  22 1
            22    7  10 2
            23    9  12 1
            24   21  22 1
            25    8  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30    8  27 1
            31   25  28 1
            32   22  29 1

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