KEGG   DRUG: D02506Help
Entry
D02506                      Drug                                   

Name
Phenoxymethylpenicillin benzathine (JAN);
Penicillin V benzathine tetrahydrate
Formula
(C16H18N2O5S)2. C16H20N2. 4H2O
Exact mass
1012.3922
Mol weight
1013.1836
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibacterial
Remark
ATC code: 
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
    J01CE Beta-lactamase sensitive penicillins
     J01CE10 Benzathine phenoxymethylpenicillin
      D02506  Phenoxymethylpenicillin benzathine (JAN)
USP drug classification [BR:br08302]
 Antibacterials
  Beta-lactam, Penicillins
   Penicillin V
    D02506  Phenoxymethylpenicillin benzathine (JAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Cell wall biosynthesis inhibitor
   Penicillin binding proteins inhibitor
    Penicillins
     Benzathine phenoxymethylpenicillin
      D02506  Phenoxymethylpenicillin benzathine (JAN)
BRITE hierarchy
Other DBs
CAS: 
63690-57-3
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        70
            1   O0  O    39.9700  -19.9500
            2   C8x C    32.3571  -16.5218
            3   C8x C    32.3571  -15.1211
            4   C8x C    33.5730  -14.4209
            5   C8x C    34.7818  -15.1211
            6   C8y C    34.7818  -16.5218
            7   C8x C    33.5730  -17.2222
            8   C1b C    35.9860  -17.2222
            9   N1b N    37.1957  -16.5290
            10  C1b C    38.4053  -17.2293
            11  C1b C    39.6150  -16.5359
            12  N1b N    40.8247  -17.2363
            13  C1b C    42.0344  -16.5431
            14  C8y C    43.2441  -17.2434
            15  C8x C    44.4555  -16.5460
            16  C8x C    45.6651  -17.2463
            17  C8x C    45.6634  -18.6441
            18  C8x C    44.4521  -19.3415
            19  C8x C    43.2422  -18.6412
            20  C1y C    25.3134  -17.1109
            21  C5x C    25.3134  -18.5153
            22  N1y N    26.7179  -18.5153
            23  C1y C    26.7179  -17.1109
            24  C1y C    28.0520  -18.9366
            25  C1z C    28.8946  -17.8130
            26  S2x S    28.0520  -16.6895
            27  C1a C    29.8778  -18.7962
            28  C1a C    29.8778  -16.8299
            29  C6a C    28.5436  -20.2708
            30  O6a O    29.9479  -20.2708
            31  O6a O    27.7008  -21.3942
            32  N1b N    24.1196  -16.4086
            33  C5a C    22.9258  -17.1109
            34  O5x O    24.1196  -19.2175
            35  O5a O    22.9258  -18.5153
            36  C1b C    21.7067  -16.4135
            37  O2a O    20.5146  -17.1086
            38  C8y C    19.3014  -16.4081
            39  C8x C    19.3011  -14.9790
            40  C8x C    18.0888  -14.2795
            41  C8x C    16.8768  -14.9795
            42  C8x C    16.8772  -16.4087
            43  C8x C    18.0895  -17.1082
            44  O0  O    39.9700  -19.9500
            45  O0  O    39.9700  -19.9500
            46  O0  O    39.9700  -19.9500
            47  C1y C    25.3134  -17.1109
            48  C5x C    25.3134  -18.5153
            49  N1y N    26.7179  -18.5153
            50  C1y C    26.7179  -17.1109
            51  S2x S    28.0520  -16.6895
            52  C1z C    28.8946  -17.8130
            53  C1y C    28.0520  -18.9366
            54  C6a C    28.5436  -20.2708
            55  O6a O    29.9479  -20.2708
            56  O6a O    27.7008  -21.3942
            57  C1a C    29.8778  -18.7962
            58  C1a C    29.8778  -16.8299
            59  O5x O    24.1196  -19.2175
            60  N1b N    24.1196  -16.4086
            61  C5a C    22.9258  -17.1109
            62  O5a O    22.9258  -18.5153
            63  C1b C    21.7067  -16.4135
            64  O2a O    20.5146  -17.1086
            65  C8y C    19.3014  -16.4081
            66  C8x C    19.3011  -14.9790
            67  C8x C    18.0888  -14.2795
            68  C8x C    16.8768  -14.9795
            69  C8x C    16.8772  -16.4087
            70  C8x C    18.0895  -17.1082
BOND        71
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     7   2 1
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 2
            17   17  18 1
            18   18  19 2
            19   19  14 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   20  23 1
            24   22  24 1
            25   24  25 1
            26   25  26 1
            27   23  26 1
            28   25  27 1
            29   25  28 1
            30   24  29 1 #Down
            31   29  30 1
            32   29  31 2
            33   20  32 1 #Up
            34   32  33 1
            35   21  34 2
            36   33  35 2
            37   33  36 1
            38   36  37 1
            39   37  38 1
            40   38  39 2
            41   39  40 1
            42   40  41 2
            43   41  42 1
            44   42  43 2
            45   38  43 1
            46   47  48 1
            47   48  49 1
            48   49  50 1
            49   47  50 1
            50   49  53 1
            51   53  52 1
            52   52  51 1
            53   50  51 1
            54   52  57 1
            55   52  58 1
            56   53  54 1 #Down
            57   54  55 1
            58   54  56 2
            59   47  60 1 #Up
            60   60  61 1
            61   48  59 2
            62   61  62 2
            63   61  63 1
            64   63  64 1
            65   64  65 1
            66   65  66 2
            67   66  67 1
            68   67  68 2
            69   68  69 1
            70   69  70 2
            71   65  70 1
BRACKET     1    37.8000  -20.7900   37.8000  -19.1100
            1    40.4600  -19.1100   40.4600  -20.7900
            1  4
 ORIGINAL  1    1
 REPEAT    1   45  46  47
            2    16.3800  -21.7000   16.3800  -13.7900
            2    31.5700  -13.7900   31.5700  -21.7000
            2  2
 ORIGINAL  2   20  21  22  23  26  25  24  29  30  31  27  28  32  35  33  34
            2   36  37  38  39  40  41  42  43  44
 REPEAT    2   48  49  50  51  52  53  54  55  56  57  58  59  60  61  62  63
            2   64  65  66  67  68  69  70  71  72

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