KEGG   DRUG: Doxycycline fosfatexHelp
Entry
D03904                      Drug                                   

Name
Doxycycline fosfatex (USAN)
Formula
(C22H24N2O8)3. P4H3O12. Na
Exact mass
1674.3071
Mol weight
1675.2051
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
ATC code: 
Chemical group: 
Activity
Antibacterial, Protein biosynthesis inhibitor
Comment
Semisynthetic tetracycline
Target
30S ribosomal subunit
  Pathway
Ribosome
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB22 Doxycycline
      D03904  Doxycycline fosfatex (USAN)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA02 Doxycycline
      D03904  Doxycycline fosfatex (USAN)
USP drug classification [BR:br08302]
 Antibacterials
  Tetracyclines
   Doxycycline
    D03904  Doxycycline fosfatex (USAN)
 Dental and Oral Agents
  Doxycycline
   D03904  Doxycycline fosfatex (USAN)
 Dermatological Agents
  Doxycycline
   D03904  Doxycycline fosfatex (USAN)
Antiinfectives [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   30S subunit inhibitor
    Tetracyclines
     Doxycycline
      D03904  Doxycycline fosfatex (USAN)
BRITE hierarchy
Other DBs
CAS: 
83038-87-3
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        113
            1   P1b P    22.1020   -5.1950
            2   O2x O    23.5031   -5.1950
            3   P1b P    24.4958   -6.1805
            4   O2x O    24.4958   -7.5816
            5   P1b P    23.5031   -8.5743
            6   O2x O    22.1020   -8.5743
            7   P1b P    21.1163   -7.5816
            8   O2x O    21.1163   -6.1805
            9   O1c O    20.7020   -5.1950
            10  O1c O    24.4958   -4.7805
            11  O1c O    25.8998   -6.1806
            12  O1c O    22.1020   -3.7950
            13  O1c O    23.5031   -9.9743 #-
            14  O1c O    24.9031   -8.5743
            15  O1c O    21.1163   -8.9816
            16  O1c O    19.7163   -7.5816
            17  C1y C     9.7319   -7.2905
            18  C1z C     9.7601   -8.6392
            19  C1y C    10.9143   -6.6305
            20  C1y C     8.5725   -6.6018
            21  C2y C     8.4739   -9.3050
            22  C5x C    10.8742   -9.3336
            23  C2y C    12.0678   -7.3249
            24  C1y C     7.3202   -7.2676
            25  C2y C     7.3788   -8.6219
            26  O1a O     8.4682  -10.6652
            27  C2y C    12.0563   -8.6737
            28  O5x O    10.8265  -10.6939
            29  O1a O    13.2618   -6.6650
            30  C1y C     6.2195   -6.5845
            31  C5x C     6.2080   -9.2992
            32  C5a C    13.2215   -9.3739
            33  C8y C     5.0485   -7.2562
            34  C8y C     5.0428   -8.6162
            35  O5x O     6.2080  -10.6536
            36  N1a N    14.4096   -8.7081
            37  O5a O    13.2497  -10.7340
            38  C8x C     3.8603   -6.5788
            39  C8y C     3.8662   -9.2935
            40  C8x C     2.6895   -7.2618
            41  C8x C     2.6895   -8.6219
            42  O1a O     3.8662  -10.6536
            43  C1a C     6.2247   -4.8715
            44  N1c N    10.9367   -4.4417
            45  C1a C    12.1369   -3.7748
            46  C1a C     9.7589   -3.7358
            47  O1a O     8.5624   -4.8852
            48  O1a O     9.7067  -10.0102
            49  Z   Na   26.6000  -10.1500 #+
            50  C1y C     9.7319   -7.2905
            51  C1z C     9.7601   -8.6392
            52  C2y C     8.4739   -9.3050
            53  C2y C     7.3788   -8.6219
            54  C5x C     6.2080   -9.2992
            55  C8y C     5.0428   -8.6162
            56  C8y C     3.8662   -9.2935
            57  C8x C     2.6895   -8.6219
            58  C8x C     2.6895   -7.2618
            59  C8x C     3.8603   -6.5788
            60  C8y C     5.0485   -7.2562
            61  C1y C     6.2195   -6.5845
            62  C1y C     7.3202   -7.2676
            63  C1y C     8.5725   -6.6018
            64  O1a O     8.5624   -4.8852
            65  C1a C     6.2247   -4.8715
            66  O1a O     3.8662  -10.6536
            67  O5x O     6.2080  -10.6536
            68  O1a O     8.4682  -10.6652
            69  C5x C    10.8742   -9.3336
            70  C2y C    12.0563   -8.6737
            71  C5a C    13.2215   -9.3739
            72  N1a N    14.4096   -8.7081
            73  O5a O    13.2497  -10.7340
            74  C2y C    12.0678   -7.3249
            75  O1a O    13.2618   -6.6650
            76  C1y C    10.9143   -6.6305
            77  N1c N    10.9367   -4.4417
            78  C1a C    12.1369   -3.7748
            79  C1a C     9.7589   -3.7358
            80  O5x O    10.8265  -10.6939
            81  O1a O     9.7067  -10.0102
            82  C1y C     9.7319   -7.2905
            83  C1z C     9.7601   -8.6392
            84  C2y C     8.4739   -9.3050
            85  C2y C     7.3788   -8.6219
            86  C5x C     6.2080   -9.2992
            87  C8y C     5.0428   -8.6162
            88  C8y C     3.8662   -9.2935
            89  C8x C     2.6895   -8.6219
            90  C8x C     2.6895   -7.2618
            91  C8x C     3.8603   -6.5788
            92  C8y C     5.0485   -7.2562
            93  C1y C     6.2195   -6.5845
            94  C1y C     7.3202   -7.2676
            95  C1y C     8.5725   -6.6018
            96  O1a O     8.5624   -4.8852
            97  C1a C     6.2247   -4.8715
            98  O1a O     3.8662  -10.6536
            99  O5x O     6.2080  -10.6536
            100 O1a O     8.4682  -10.6652
            101 C5x C    10.8742   -9.3336
            102 C2y C    12.0563   -8.6737
            103 C5a C    13.2215   -9.3739
            104 N1a N    14.4096   -8.7081
            105 O5a O    13.2497  -10.7340
            106 C2y C    12.0678   -7.3249
            107 O1a O    13.2618   -6.6650
            108 C1y C    10.9143   -6.6305
            109 N1c N    10.9367   -4.4417
            110 C1a C    12.1369   -3.7748
            111 C1a C     9.7589   -3.7358
            112 O5x O    10.8265  -10.6939
            113 O1a O     9.7067  -10.0102
BOND        121
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   1 1
            9     1   9 2
            10    3  10 2
            11    3  11 1
            12    1  12 1
            13    5  13 1
            14    5  14 2
            15    7  15 2
            16    7  16 1
            17   21  25 2
            18   21  26 1
            19   22  27 1
            20   22  28 2
            21   23  29 1
            22   24  30 1
            23   25  31 1
            24   27  32 1
            25   30  33 1
            26   31  34 1
            27   31  35 2
            28   32  36 1
            29   32  37 2
            30   33  38 1
            31   34  39 1
            32   38  40 2
            33   39  41 2
            34   39  42 1
            35   23  27 2
            36   24  25 1
            37   33  34 2
            38   40  41 1
            39   30  43 1 #Down
            40   19  44 1 #Down
            41   17  18 1
            42   44  45 1
            43   17  19 1
            44   44  46 1
            45   17  20 1
            46   18  21 1
            47   18  22 1
            48   20  47 1 #Down
            49   19  23 1
            50   18  48 1 #Down
            51   20  24 1
            52   52  53 2
            53   52  68 1
            54   69  70 1
            55   69  80 2
            56   74  75 1
            57   62  61 1
            58   53  54 1
            59   70  71 1
            60   61  60 1
            61   54  55 1
            62   54  67 2
            63   71  72 1
            64   71  73 2
            65   60  59 1
            66   55  56 1
            67   59  58 2
            68   56  57 2
            69   56  66 1
            70   74  70 2
            71   62  53 1
            72   60  55 2
            73   58  57 1
            74   61  65 1 #Down
            75   76  77 1 #Down
            76   50  51 1
            77   77  78 1
            78   50  76 1
            79   77  79 1
            80   50  63 1
            81   51  52 1
            82   51  69 1
            83   63  64 1 #Down
            84   76  74 1
            85   51  81 1 #Down
            86   63  62 1
            87   84  85 2
            88   84 100 1
            89  101 102 1
            90  101 112 2
            91  106 107 1
            92   94  93 1
            93   85  86 1
            94  102 103 1
            95   93  92 1
            96   86  87 1
            97   86  99 2
            98  103 104 1
            99  103 105 2
            100  92  91 1
            101  87  88 1
            102  91  90 2
            103  88  89 2
            104  88  98 1
            105 106 102 2
            106  94  85 1
            107  92  87 2
            108  90  89 1
            109  93  97 1 #Down
            110 108 109 1 #Down
            111  82  83 1
            112 109 110 1
            113  82 108 1
            114 109 111 1
            115  82  95 1
            116  83  84 1
            117  83 101 1
            118  95  96 1 #Down
            119 108 106 1
            120  83 113 1 #Down
            121  95  94 1
BRACKET     1     2.1000  -11.8300    2.1000   -2.3800
            1    16.7300   -2.3800   16.7300  -11.8300
            1  3
 ORIGINAL  1   17  18  21  25  31  34  39  41  40  38  33  30  24  48  20  49
            1   43  42  35  26  22  27  32  36  37  23  29  19  44  45  46  28
            1   50  47
 REPEAT    1   52  53  54  55  56  57  58  59  60  61  62  63  64  65  66  67
            1   68  69  70  71  72  73  74  75  76  77  78  79  80  81  82  83
            1   84  85  86  87  88  89  90  91  92  93  94  95  96  97  98  99
            1  100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115
            1  116 117 118 119

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