KEGG   COMPOUND: C11748Help
Entry
C11748                      Compound                               

Name
Flucloxacillin;
Floxacillin
Formula
C19H17ClFN3O5S
Exact mass
453.0561
Mol weight
453.8718
Structure
Mol fileKCF fileDB search
Remark
Same as: D04196
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01C BETA-LACTAM ANTIBACTERIALS, PENICILLINS
    J01CF Beta-lactamase resistant penicillins
     J01CF05 Flucloxacillin
      D04196  Floxacillin (USAN)
BRITE hierarchy
Other DBs
CAS: 5250-39-5
PubChem: 13913
ChEBI: 5098
ChEMBL: CHEMBL1620722 CHEMBL222645
NIKKAJI: J8.825K
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1y C    32.6900  -14.5600
            2   C5x C    32.6900  -15.8900
            3   N1y N    34.0200  -15.8900
            4   C1y C    34.0200  -14.5600
            5   C1y C    35.3500  -16.3100
            6   C1z C    36.1200  -15.2600
            7   S2x S    35.3500  -14.1400
            8   C1a C    37.1000  -16.1700
            9   C1a C    37.1000  -14.2800
            10  C6a C    35.7700  -17.7100
            11  O6a O    37.1700  -17.7100
            12  O6a O    35.0000  -18.7600
            13  N1b N    31.5000  -13.8600
            14  C5a C    30.3100  -14.5600
            15  O5x O    31.5000  -16.5900
            16  O5a O    30.3100  -15.8900
            17  C8y C    29.1200  -13.8600
            18  C8y C    29.1200  -12.5300
            19  O2x O    27.7900  -12.1100
            20  N5x N    27.0200  -13.1600
            21  C8y C    27.7900  -14.2800
            22  C8y C    27.7900  -16.8700
            23  C8y C    26.6700  -17.5700
            24  C8x C    26.6700  -18.9000
            25  C8x C    27.7900  -19.6000
            26  C8x C    28.9800  -18.9000
            27  C8y C    28.9800  -17.5700
            28  C1a C    30.2400  -11.6900
            29  X   Cl   25.4800  -16.8700
            30  X   F    30.1700  -16.8700
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15   13  14 1
            16    2  15 2
            17   14  16 2
            18   14  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   17  21 1
            24   21  22 1
            25   22  23 2
            26   23  24 1
            27   24  25 2
            28   25  26 1
            29   26  27 2
            30   22  27 1
            31   18  28 1
            32   23  29 1
            33   27  30 1

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