KEGG   COMPOUND: C13173Help
Entry
C13173                      Compound                               

Name
Roxithromycin
Formula
C41H76N2O15
Exact mass
836.5246
Mol weight
837.0465
Structure
Mol fileKCF fileDB search
Remark
Same as: D01710
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA06 Roxithromycin
      D01710  Roxithromycin (JP17/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   614  Acting mainly on gram-positive bacteria and mycoplasma
    6149  Others
     D01710  Roxithromycin (JP17/USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01710  Roxithromycin
Antiinfectives [br08350.html]
 Antibacterials
  D01710
BRITE hierarchy
Other DBs
CAS: 80214-83-1
PubChem: 585237
ChEBI: 32109
ChEMBL: CHEMBL1214185
PDB-CCD: ROX[PDBj]
NIKKAJI: J227.543K
LinkDB All DBs
KCF data Show

ATOM        58
            1   C1y C    20.3820  -14.8277
            2   C1z C    20.3820  -13.4581
            3   C1y C    19.1923  -15.5069
            4   O2a O    22.3013  -15.5474
            5   C1x C    19.1923  -12.7733
            6   O1a O    21.4151  -12.4658
            7   C1a C    21.6704  -13.8934
            8   C1y C    19.1923  -16.8765
            9   C1a C    18.2169  -14.5499
            10  C1y C    23.5316  -14.8277
            11  C1y C    19.1923  -11.3979
            12  O2a O    19.9352  -18.2403
            13  C1y C    18.0141  -17.5614
            14  C1y C    24.2281  -16.0002
            15  O2x O    24.1991  -13.6324
            16  C2y C    18.0141  -10.7188
            17  C1a C    20.3820  -10.7188
            18  C1y C    20.9683  -19.3603
            19  C7x C    16.8244  -16.8765
            20  C1a C    18.0141  -18.9308
            21  C1y C    25.5920  -16.0580
            22  O1a O    23.5607  -17.2015
            23  C1y C    25.5687  -13.6902
            24  C1y C    16.8244  -11.3979
            25  N2b N    18.0141   -9.3492
            26  C1x C    20.9683  -20.7243
            27  O2x O    22.1580  -18.6756
            28  O7x O    16.8244  -15.5069
            29  O6a O    15.7624  -17.8283
            30  C1x C    26.2593  -14.7989
            31  N1c N    26.2941  -17.1608
            32  C1a C    26.2420  -12.4309
            33  C1y C    16.8244  -12.7733
            34  C1a C    15.6406  -10.7188
            35  C1z C    22.1580  -21.4148
            36  C1y C    23.3361  -19.3603
            37  C1y C    15.6406  -14.8277
            38  C1a C    27.2402  -18.5421
            39  C1a C    27.6581  -17.1435
            40  C1z C    15.6406  -13.4581
            41  O1a O    18.0141  -13.4581
            42  C1y C    23.3361  -20.7243
            43  O2a O    22.1580  -22.7439
            44  C1a C    23.6089  -22.4014
            45  C1a C    24.5258  -18.6814
            46  C1b C    14.4566  -15.5069
            47  C1a C    14.3871  -14.0269
            48  O1a O    14.3871  -12.7676
            49  O1a O    24.5258  -21.4148
            50  C1a C    23.2607  -23.7072
            51  C1a C    14.4914  -16.6327
            52  O2a O    19.2024   -8.6800
            53  C1b C    20.4149   -9.3800
            54  O2a O    21.6273   -8.6800
            55  C1b C    22.8397   -9.3800
            56  C1b C    24.0522   -8.6800
            57  O2a O    25.2646   -9.3800
            58  C1a C    26.4770   -8.6800
BOND        60
            1     3   8 1
            2     3   9 1 #Down
            3    10   4 1 #Down
            4     5  11 1
            5     8  12 1 #Down
            6     8  13 1
            7    10  14 1
            8    10  15 1
            9    11  16 1
            10   11  17 1 #Down
            11   18  12 1 #Down
            12   13  19 1
            13   13  20 1 #Up
            14   14  21 1
            15   14  22 1 #Up
            16   15  23 1
            17   16  24 1
            18   16  25 2
            19   18  26 1
            20   18  27 1
            21   19  28 1
            22   19  29 2
            23   21  30 1
            24   21  31 1 #Down
            25   23  32 1 #Down
            26   24  33 1
            27   24  34 1 #Up
            28   26  35 1
            29   27  36 1
            30   28  37 1
            31   31  38 1
            32   31  39 1
            33   33  40 1
            34   33  41 1 #Up
            35   35  42 1
            36   35  43 1 #Down
            37   35  44 1
            38   36  45 1 #Up
            39   37  46 1 #Down
            40   40  47 1 #Down
            41   40  48 1 #Up
            42   42  49 1 #Down
            43   43  50 1
            44   46  51 1
            45   23  30 1
            46   36  42 1
            47   37  40 1
            48    1   2 1
            49    1   3 1
            50    1   4 1 #Down
            51    2   5 1
            52    2   6 1 #Up
            53    2   7 1 #Down
            54   25  52 1
            55   52  53 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   57  58 1

» Japanese version

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