KEGG   COMPOUND: C11613
Entry
C11613                      Compound                               
Name
Polymyxin B sulfate;
Polymixin B sulfate
Formula
C55H95N16O13R. xH2SO4
Structure
Remark
Same as: D01066
Comment
Generic compound
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AA Antibiotics
     A07AA05 Polymyxin B
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XB Polymyxins
     J01XB02 Polymyxin B
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA18 Polymyxin B
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA11 Polymyxin B
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA03 Polymyxin B
      D01066  Polymyxin B sulfate (USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Polymyxin B
    D01066  Polymyxin B sulfate (USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   263  Suppurative dermatosis agents
    2634  Antibiotics for external use
     D01066  Polymyxin B sulfate (USP/INN); Polymixin B sulfate (JP18)
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   612  Acting mainly on gram-negative bacteria
    6126  Polymyxin B
     D01066  Polymyxin B sulfate (USP/INN); Polymixin B sulfate (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Polymyxin B
    D01066  Polymyxin B sulfate (USP/INN)
Drug groups [BR:br08330]
 Antibacterial
  DG01579  Polypeptide antibiotic
   DG00083  Polymyxin B
    D01066  Polymyxin B sulfate
Antimicrobials [BR:br08307]
 Antibacterials
  Cell membrane function inhibitor
   Polypeptide
    D01066  Polymyxin B sulfate (USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01066  Polymixin B sulfate
Other DBs
CAS: 1405-20-5
PubChem: 13778
ChEBI: 8310
NIKKAJI: J310.926G
KCF data

ATOM        90
            1   N1b N    39.6766  -20.6368
            2   C1c C    38.5611  -15.0007
            3   C5a C    39.7269  -14.3198
            4   O5a O    39.7890  -12.9660
            5   N1b N    37.3836  -14.3260
            6   C1c C    45.5334  -20.0441
            7   N1b N    43.1910  -20.0315
            8   C1c C    42.0157  -20.7021
            9   C5a C    40.8519  -20.0188
            10  O5a O    40.8473  -18.8918
            11  C5a C    44.3620  -20.7080
            12  O5a O    44.3583  -22.0690
            13  N1b N    45.5251  -18.6836
            14  C5a C    46.7007  -17.9958
            15  O5a O    47.8778  -18.6689
            16  C1c C    46.7202  -15.2626
            17  N1b N    40.9037  -14.9935
            18  C1c C    42.0803  -14.3059
            19  C5a C    43.2498  -14.9864
            20  O5a O    43.2847  -16.3401
            21  N1b N    44.4194  -14.2987
            22  C1b C    47.7728  -14.5092
            23  C1c C    48.9902  -15.1065
            24  C1a C    50.1202  -14.3528
            25  C1a C    49.0138  -16.4569
            26  C1b C    42.0773  -12.9520
            27  C8y C    43.2485  -12.2689
            28  C8x C    44.4156  -12.9498
            29  C8x C    45.5869  -12.2667
            30  C8x C    45.5838  -10.9128
            31  C8x C    44.4094  -10.2350
            32  C8x C    43.2382  -10.9183
            33  C1b C    46.7137  -20.7171
            34  C1b C    46.7140  -22.0780
            35  N1a N    47.8871  -22.7511
            36  C1b C    42.0072  -22.0630
            37  C1b C    40.8301  -22.7290
            38  N1a N    40.8217  -24.0899
            39  C1b C    38.5651  -16.3545
            40  C1b C    39.7399  -17.0316
            41  N1a N    40.9249  -16.4186
            42  C1c C    38.5258  -19.9082
            43  C1c C    38.5823  -18.3444
            44  C5a C    37.3259  -20.5391
            45  N1b N    36.2525  -19.8175
            46  O5a O    37.2769  -21.8988
            47  C1b C    36.2385  -18.4648
            48  C1a C    39.7824  -17.7134
            49  O1a O    37.4386  -17.6228
            50  C1b C    35.0877  -17.7362
            51  C5a C    35.8215  -14.3200
            52  O5a O    35.2171  -13.1442
            53  C1c C    35.1360  -15.5608
            54  N1b N    33.9290  -14.8446
            55  C5a C    32.7595  -15.5251
            56  C1c C    31.5899  -14.8446
            57  O5a O    32.7595  -16.8788
            58  N1b N    30.4162  -15.5236
            59  C5a C    29.2443  -14.8418
            60  C1b C    31.5916  -13.4907
            61  C1b C    32.7655  -12.8189
            62  N1a N    32.7670  -11.4580
            63  O5a O    29.2458  -13.4878
            64  C1c C    28.0705  -15.5207
            65  N1b N    26.8915  -14.8387
            66  C1c C    28.0688  -17.2261
            67  O1a O    29.2409  -17.9081
            68  C1a C    26.8880  -17.9052
            69  C5a C    25.7176  -15.5178
            70  C1c C    24.5456  -14.8430
            71  O5a O    25.7159  -16.8716
            72  N1b N    23.3718  -15.5149
            73  C5a C    22.1999  -14.8401
            74  C1b C    21.0261  -15.5119
            75  C1b C    24.5473  -13.4821
            76  C1b C    25.7211  -12.8101
            77  N1a N    25.7228  -11.4492
            78  O5a O    22.2016  -13.4791
            79  C1b C    19.8470  -14.8372
            80  C1b C    18.6733  -15.5091
            81  C1b C    17.5012  -14.8342
            82  C1c C    16.3276  -15.5060
            83  C1b C    15.1555  -14.8313
            84  C1a C    16.3259  -16.8600
            85  R   R    13.9818  -15.5031
            86  S4a S    21.9877  -21.4392
            87  O1d O    20.5787  -21.4392
            88  O1d O    23.3967  -21.4392
            89  O1d O    21.9823  -20.0242
            90  O1d O    21.9823  -22.8481
BOND        90
            1     6  13 1
            2    43  48 1
            3    43  49 1 #Down
            4    23  25 1
            5    47  50 1
            6    53  50 1 #Down
            7    18  26 1 #Down
            8     5  51 1
            9    13  14 1
            10   51  52 2
            11   26  27 1
            12   51  53 1
            13    2   5 1
            14   53  54 1
            15   14  15 2
            16   54  55 1
            17    7   8 1
            18   55  56 1
            19    8   9 1
            20   55  57 2
            21    9  10 2
            22   56  58 1
            23   27  28 2
            24   58  59 1
            25   28  29 1
            26   56  60 1 #Up
            27   29  30 2
            28   60  61 1
            29   30  31 1
            30   61  62 1
            31   31  32 2
            32   59  63 2
            33   32  27 1
            34   59  64 1
            35   64  65 1
            36    6  33 1 #Up
            37   64  66 1 #Down
            38    7  11 1
            39   66  67 1 #Down
            40   33  34 1
            41   66  68 1
            42    3   4 2
            43   65  69 1
            44   34  35 1
            45   69  70 1
            46   18  19 1
            47   69  71 2
            48    8  36 1 #Up
            49   70  72 1
            50   19  20 2
            51   72  73 1
            52   36  37 1
            53   73  74 1
            54   19  21 1
            55   70  75 1 #Up
            56   37  38 1
            57   75  76 1
            58   17   3 1
            59   76  77 1
            60    1   9 1
            61   73  78 2
            62   17  18 1
            63   74  79 1
            64    2  39 1 #Down
            65   79  80 1
            66   21  16 1
            67   80  81 1
            68   39  40 1
            69   81  82 1
            70   14  16 1
            71   82  83 1
            72   40  41 1
            73   82  84 1
            74   11  12 2
            75   83  85 1
            76    1  42 1
            77   16  22 1 #Up
            78   42  43 1 #Down
            79   11   6 1
            80   42  44 1
            81   22  23 1
            82   44  45 1
            83    3   2 1
            84   44  46 2
            85   23  24 1
            86   45  47 1
            87   86  87 1
            88   86  88 1
            89   86  89 2
            90   86  90 2
BRACKET     1    19.1800  -23.2400   19.1800  -19.3200
            1    24.6400  -19.3200   24.6400  -23.2400
            1  x
 ORIGINAL  1   86  87  88  89  90
 REPEAT    1

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
All databases (5)   

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