KEGG   DRUG: D03571Help
Entry
D03571                      Drug                                   

Name
Cloxacillin benzathine (USP)
Formula
(C19H18ClN3O5S)2. C16H20N2
Exact mass
1110.2938
Mol weight
1112.106
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial
Remark
ATC code: 
Drug group: 
Comment
Semisynthetic penicillin
Penicillinase [EC:3.5.2.6]-resistant penicillin
Target
penicillin binding proteins inhibitor
  Pathway
ko00550  Peptidoglycan biosynthesis  
 
Interaction
Drug interaction
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
     J01CF02 Cloxacillin
      D03571  Cloxacillin benzathine (USP)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Penicillins
     Cloxacillin
      D03571  Cloxacillin benzathine (USP)
BRITE hierarchy
Other DBs
CAS: 
23736-58-5
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        76
            1   C1y C    25.1447  -10.9212
            2   C5x C    25.1447  -12.3126
            3   N1y N    26.5362  -12.3126
            4   C1y C    26.5362  -10.9212
            5   C1y C    27.8581  -12.7300
            6   C1z C    28.6931  -11.6168
            7   S2x S    27.8581  -10.5037
            8   C1a C    29.6670  -12.5909
            9   C1a C    29.6670  -10.6428
            10  C6a C    28.3452  -14.1215
            11  O6a O    29.7365  -14.1215
            12  O6a O    27.5103  -15.2347
            13  N1b N    23.9621  -10.2254
            14  C5a C    22.7793  -10.9212
            15  O5x O    23.9621  -13.0084
            16  O5a O    22.7793  -12.3126
            17  C8y C    21.5269  -10.2254
            18  C8y C    21.5269   -8.8341
            19  O2x O    20.2035   -8.4040
            20  N5x N    19.3857   -9.5296
            21  C8y C    20.2035  -10.6555
            22  C1a C    22.6527   -8.0161
            23  C8y C    20.2035  -12.0834
            24  C8y C    18.9507  -12.8071
            25  C8x C    18.9509  -14.2349
            26  C8x C    20.1875  -14.9487
            27  C8x C    21.4404  -14.2251
            28  C8x C    21.4402  -12.7972
            29  X   Cl   17.7188  -12.0960
            30  C8x C    32.1692  -10.1006
            31  C8x C    32.1692  -11.5028
            32  C8x C    33.3835  -12.2039
            33  C8y C    34.5978  -11.5028
            34  C8x C    34.5978  -10.1006
            35  C8x C    33.3835   -9.3996
            36  C1b C    35.8308  -12.2149
            37  N1b N    37.0379  -11.5181
            38  C1b C    38.2220  -12.2020
            39  C1b C    39.4178  -11.5116
            40  N1b N    40.6076  -12.1986
            41  C1b C    41.8005  -11.5099
            42  C8y C    42.9917  -12.1977
            43  C8x C    42.9917  -13.6058
            44  C8x C    44.2061  -14.3069
            45  C8x C    45.4203  -13.6058
            46  C8x C    45.4203  -12.1977
            47  C8x C    44.2061  -11.4967
            48  C1y C    25.1447  -10.9212
            49  C5x C    25.1447  -12.3126
            50  N1y N    26.5362  -12.3126
            51  C1y C    26.5362  -10.9212
            52  S2x S    27.8581  -10.5037
            53  C1z C    28.6931  -11.6168
            54  C1y C    27.8581  -12.7300
            55  C6a C    28.3452  -14.1215
            56  O6a O    29.7365  -14.1215
            57  O6a O    27.5103  -15.2347
            58  C1a C    29.6670  -12.5909
            59  C1a C    29.6670  -10.6428
            60  O5x O    23.9621  -13.0084
            61  N1b N    23.9621  -10.2254
            62  C5a C    22.7793  -10.9212
            63  O5a O    22.7793  -12.3126
            64  C8y C    21.5269  -10.2254
            65  C8y C    21.5269   -8.8341
            66  O2x O    20.2035   -8.4040
            67  N5x N    19.3857   -9.5296
            68  C8y C    20.2035  -10.6555
            69  C8y C    20.2035  -12.0834
            70  C8y C    18.9507  -12.8071
            71  C8x C    18.9509  -14.2349
            72  C8x C    20.1875  -14.9487
            73  C8x C    21.4404  -14.2251
            74  C8x C    21.4402  -12.7972
            75  X   Cl   17.7188  -12.0960
            76  C1a C    22.6527   -8.0161
BOND        83
            1    30  31 2
            2    31  32 1
            3    32  33 2
            4    33  34 1
            5    34  35 2
            6    30  35 1
            7    33  36 1
            8    36  37 1
            9    37  38 1
            10   38  39 1
            11   39  40 1
            12   40  41 1
            13   41  42 1
            14   42  43 2
            15   43  44 1
            16   44  45 2
            17   45  46 1
            18   46  47 2
            19   42  47 1
            20    1   2 1
            21    2   3 1
            22    3   4 1
            23    1   4 1
            24    3   5 1
            25    5   6 1
            26    6   7 1
            27    4   7 1
            28    6   8 1
            29    6   9 1
            30    5  10 1 #Down
            31   10  11 1
            32   10  12 2
            33    1  13 1 #Up
            34   13  14 1
            35    2  15 2
            36   14  16 2
            37   14  17 1
            38   17  18 2
            39   18  19 1
            40   19  20 1
            41   20  21 2
            42   17  21 1
            43   18  22 1
            44   21  23 1
            45   23  24 2
            46   24  25 1
            47   25  26 2
            48   26  27 1
            49   27  28 2
            50   23  28 1
            51   24  29 1
            52   48  49 1
            53   49  50 1
            54   50  51 1
            55   48  51 1
            56   50  54 1
            57   54  53 1
            58   53  52 1
            59   51  52 1
            60   53  58 1
            61   53  59 1
            62   54  55 1 #Down
            63   55  56 1
            64   55  57 2
            65   48  61 1 #Up
            66   61  62 1
            67   49  60 2
            68   62  63 2
            69   62  64 1
            70   64  65 2
            71   65  66 1
            72   66  67 1
            73   67  68 2
            74   64  68 1
            75   65  76 1
            76   68  69 1
            77   69  70 2
            78   70  71 1
            79   71  72 2
            80   72  73 1
            81   73  74 2
            82   69  74 1
            83   70  75 1
BRACKET     1    17.2900  -15.8200   17.2900   -7.3500
            1    31.2200   -7.3500   31.2200  -15.8200
            1  2
 ORIGINAL  1    1   2   3   4   7   6   5  10  11  12   8   9  13  16  14  15
            1   17  18  19  20  21  22  24  25  26  27  28  29  30  23
 REPEAT    1   49  50  51  52  53  54  55  56  57  58  59  60  61  62  63  64
            1   65  66  67  68  69  70  71  72  73  74  75  76  77  78

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