KEGG   DRUG: Ubidecarenone
Entry
D01065                      Drug                                   

Name
Ubidecarenone (JP17/INN);
Adelir (TN)
Formula
C59H90O4
Exact mass
862.6839
Mol weight
863.3435
Structure
Simcomp
Remark
Same as: C11378
Therapeutic category: 2119
ATC code: C01EB09
Product: D01065<JP>
Efficacy
Cardiotonic, Coenzyme, ATP production enhancer
Comment
synonym: Coenzyme Q10, Ubiquinone
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB09 Ubidecarenone
      D01065  Ubidecarenone (JP17/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2119  Others
     D01065  Ubidecarenone (JP17/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for circulatory system and blood
  21 Cardiotonics (Senso containing drugs)
   D01065  Ubidecarenone (JP17/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Ubidecarenone
    D01065  Ubidecarenone (JP17/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01065  Ubidecarenone
Rx-to-OTC switch list in Japan [br08314.html]
 D01065
Other DBs
CAS: 303-98-0
PubChem: 7848128
ChEBI: 46245
ChEMBL: CHEMBL454801
PDB-CCD: U10[PDBj]
LigandBox: D01065
NIKKAJI: J11.405G
LinkDB
KCF data

ATOM        63
            1   C1b C    12.8718  -19.0442
            2   C2b C    14.0803  -18.3465
            3   C2c C    15.2886  -19.0442
            4   C1a C    16.4971  -18.3465
            5   C1a C    15.2886  -20.4396
            6   C1b C     8.0381  -19.0442
            7   C2b C     9.2466  -18.3465
            8   C2c C    10.4549  -19.0442
            9   C1b C    11.6634  -18.3465
            10  C1a C    10.4549  -20.4396
            11  C2y C     6.5942  -18.3436
            12  C5x C     5.3765  -19.0538
            13  C2y C     6.5942  -16.9334
            14  C2y C     4.1647  -18.3436
            15  O5x O     5.3765  -20.4524
            16  C5x C     5.3765  -16.2277
            17  C1a C     7.8062  -16.2277
            18  C2y C     4.1647  -16.9334
            19  O2a O     2.9516  -19.0364
            20  O5x O     5.3765  -14.8349
            21  O2a O     2.9574  -16.2277
            22  C1a C     1.7396  -18.3320
            23  C1a C     2.9648  -14.8393
            24  C1b C     8.0381  -19.0442
            25  C2b C     9.2466  -18.3465
            26  C2c C    10.4549  -19.0442
            27  C1b C    11.6634  -18.3465
            28  C1a C    10.4549  -20.4396
            29  C1b C     8.0381  -19.0442
            30  C2b C     9.2466  -18.3465
            31  C2c C    10.4549  -19.0442
            32  C1b C    11.6634  -18.3465
            33  C1a C    10.4549  -20.4396
            34  C1b C     8.0381  -19.0442
            35  C2b C     9.2466  -18.3465
            36  C2c C    10.4549  -19.0442
            37  C1b C    11.6634  -18.3465
            38  C1a C    10.4549  -20.4396
            39  C1b C     8.0381  -19.0442
            40  C2b C     9.2466  -18.3465
            41  C2c C    10.4549  -19.0442
            42  C1b C    11.6634  -18.3465
            43  C1a C    10.4549  -20.4396
            44  C1b C     8.0381  -19.0442
            45  C2b C     9.2466  -18.3465
            46  C2c C    10.4549  -19.0442
            47  C1b C    11.6634  -18.3465
            48  C1a C    10.4549  -20.4396
            49  C1b C     8.0381  -19.0442
            50  C2b C     9.2466  -18.3465
            51  C2c C    10.4549  -19.0442
            52  C1b C    11.6634  -18.3465
            53  C1a C    10.4549  -20.4396
            54  C1b C     8.0381  -19.0442
            55  C2b C     9.2466  -18.3465
            56  C2c C    10.4549  -19.0442
            57  C1b C    11.6634  -18.3465
            58  C1a C    10.4549  -20.4396
            59  C1b C     8.0381  -19.0442
            60  C2b C     9.2466  -18.3465
            61  C2c C    10.4549  -19.0442
            62  C1b C    11.6634  -18.3465
            63  C1a C    10.4549  -20.4396
BOND        63
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     3   5 1
            5    13  16 1
            6    13  17 1
            7    14  18 2
            8    14  19 1
            9    16  20 2
            10   18  21 1
            11   19  22 1
            12   16  18 1
            13   11  12 1
            14   11  13 2
            15   12  14 1
            16   12  15 2
            17   21  23 1
            18    6   7 1
            19    7   8 2
            20    8   9 1
            21    9   1 1
            22    8  10 1
            23   24  25 1
            24   25  26 2
            25   26  27 1
            26    6  27 1
            27   26  28 1
            28   29  30 1
            29   30  31 2
            30   31  32 1
            31   24  32 1
            32   31  33 1
            33   34  35 1
            34   35  36 2
            35   36  37 1
            36   29  37 1
            37   36  38 1
            38   39  40 1
            39   40  41 2
            40   41  42 1
            41   34  42 1
            42   41  43 1
            43   44  45 1
            44   45  46 2
            45   46  47 1
            46   39  47 1
            47   46  48 1
            48   49  50 1
            49   50  51 2
            50   51  52 1
            51   44  52 1
            52   51  53 1
            53   54  55 1
            54   55  56 2
            55   56  57 1
            56   49  57 1
            57   56  58 1
            58   59  60 1
            59   60  61 2
            60   61  62 1
            61   54  62 1
            62   61  63 1
            63   59  11 1
BRACKET     1     7.7000  -21.4200    7.7000  -17.5000
            1    12.0400  -17.5000   12.0400  -21.4200
            1  9
 ORIGINAL  1    6   7   8   9  10
 REPEAT    1   24  25  26  27  28  29  30  31  32  33  34  35  36  37  38  39
            1   40  41  42  43  44  45  46  47  48  49  50  51  52  53  54  55
            1   56  57  58  59  60  61  62  63

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