KEGG   COMPOUND: C11368Help
Entry
C11368                      Compound                               

Name
Grepafloxacin
Formula
C19H22FN3O3
Exact mass
359.1645
Mol weight
359.3947
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
ATC code: 
Drug group: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01M QUINOLONE ANTIBACTERIALS
    J01MA Fluoroquinolones
     J01MA11 Grepafloxacin
      C11368  Grepafloxacin
Antiinfectives [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   type II topoisomerase (DNA gyrase, topoisomerase IV) inhibitor
    Fluoroquinolones
     Grepafloxacin
      C11368  Grepafloxacin
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP1A2
   Grepafloxacin
    C11368  Grepafloxacin
BRITE hierarchy
Other DBs
CAS: 
119914-60-2
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C8y C    16.8061  -14.4317
            2   C8y C    16.8061  -15.8326
            3   C8x C    18.0231  -16.5295
            4   C8y C    18.0231  -13.7277
            5   C8y C    19.2261  -14.4317
            6   C8y C    19.2199  -15.8326
            7   N4y N    20.4312  -16.5346
            8   C8x C    21.6485  -15.8429
            9   C8y C    21.6544  -14.4419
            10  C8y C    20.4432  -13.7330
            11  C1y C    20.4173  -17.9305
            12  C6a C    22.8602  -13.7277
            13  O6a O    22.9232  -12.3269
            14  O6a O    24.0710  -14.4317
            15  C1a C    18.0097  -12.3269
            16  X   F    15.5880  -13.7277
            17  N1y N    15.5880  -16.5224
            18  C1x C    14.3780  -15.8188
            19  C1x C    13.1604  -16.5088
            20  N1x N    13.1523  -17.9094
            21  C1y C    14.3621  -18.6200
            22  C1x C    15.5800  -17.9232
            23  C1a C    14.3490  -20.0143
            24  C1x C    19.7082  -19.1309
            25  C1x C    21.1082  -19.1423
            26  O5x O    20.4315  -12.3269
BOND        29
            1     2   3 1
            2    12  13 2
            3     3   6 2
            4    12  14 1
            5     5   4 2
            6     4  15 1
            7     4   1 1
            8     1  16 1
            9     5   6 1
            10    2  17 1
            11    6   7 1
            12    7   8 1
            13    8   9 2
            14    9  10 1
            15   10   5 1
            16   17  18 1
            17   18  19 1
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  17 1
            22   21  23 1
            23    7  11 1
            24    1   2 2
            25   11  24 1
            26   11  25 1
            27   25  24 1
            28    9  12 1
            29   10  26 2

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