KEGG   DRUG: Bietaserpine (prop.INN)
Entry
D07167                      Drug                                   
Name
Bietaserpine (prop.INN)
Formula
C39H53N3O9
Exact mass
707.3782
Mol weight
707.8528
Structure
Simcomp
Class
Cardiovascular agent
 DG01738  Centrally-acting antiadrenergic
  DG01737  Rauwolfia alkaloid
Remark
ATC code: C02AA07
Efficacy
Antihypertensive
Comment
Rauwolfia alkaloid
Reserpine [DR:D00197] derivative
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02A ANTIADRENERGIC AGENTS, CENTRALLY ACTING
    C02AA Rauwolfia alkaloids
     C02AA07 Bietaserpine
      D07167  Bietaserpine (prop.INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01738  Centrally-acting antiadrenergic
   DG01737  Rauwolfia alkaloid
    D07167  Bietaserpine (prop.INN)
Other DBs
CAS: 53-18-9
PubChem: 51091506
LigandBox: D07167
NIKKAJI: J4.141F
LinkDB
KCF data

ATOM        51
            1   C8y C    14.2383  -16.3302
            2   C1y C    15.4254  -15.5154
            3   N1y N    15.3858  -14.1339
            4   C1x C    14.1219  -13.5080
            5   C1x C    13.0048  -14.2529
            6   C8y C    13.0117  -15.6237
            7   C1x C    16.5821  -16.2219
            8   C1y C    17.7692  -15.4770
            9   C1y C    17.7995  -14.0956
            10  C1x C    16.5729  -13.4590
            11  C1y C    19.0658  -16.1136
            12  C1y C    20.2529  -15.3687
            13  C1y C    20.2133  -13.9873
            14  C1x C    18.9866  -13.3507
            15  C8y C    11.9142  -16.7132
            16  C8y C    12.6591  -17.9003
            17  N4y N    14.0254  -17.7047
            18  C8x C    10.5328  -16.7528
            19  C8x C     9.8368  -18.0168
            20  C8y C    10.5445  -19.1445
            21  C8x C    11.9259  -19.1049
            22  O2a O     9.9079  -20.3711
            23  C7a C    19.1427  -17.5544
            24  O7a O    21.4000  -13.2418
            25  O2a O    21.5168  -16.0647
            26  O6a O    17.9556  -18.2993
            27  O7a O    20.3694  -18.1910
            28  C1a C    22.7039  -15.3198
            29  C7a C    21.4046  -11.8598
            30  C8y C    22.6149  -11.1533
            31  O6a O    20.1636  -11.1237
            32  C8x C    23.8206  -11.8288
            33  C8y C    25.0309  -11.1223
            34  C8y C    25.0355   -9.7403
            35  C8y C    23.7945   -9.0042
            36  C8x C    22.5842   -9.7107
            37  O2a O    26.2458   -9.0338
            38  C1a C    25.0095   -6.9157
            39  O2a O    23.7991   -7.6222
            40  O2a O    26.2366  -11.7978
            41  C1a C    27.4469  -11.0913
            42  C1a C    27.4631   -9.7288
            43  C1a C    21.5455  -17.4396
            44  C1a C     8.5414  -20.3626
            45  C1b C    14.7014  -18.9216
            46  C1b C    16.1014  -18.9199
            47  N1c N    16.8029  -20.1315
            48  C1b C    18.2029  -20.1298
            49  C1b C    16.0911  -21.3673
            50  C1a C    18.9169  -21.3625
            51  C1a C    16.7871  -22.5698
BOND        56
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     2   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    3  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17    6  15 1
            18   15  16 1
            19   16  17 1
            20    1  17 1
            21   15  18 2
            22   18  19 1
            23   19  20 2
            24   20  21 1
            25   16  21 2
            26   20  22 1
            27   11  23 1 #Up
            28   13  24 1 #Up
            29   12  25 1 #Down
            30   23  26 2
            31   23  27 1
            32   25  28 1
            33   24  29 1
            34   29  30 1
            35   29  31 2
            36   30  32 2
            37   32  33 1
            38   33  34 2
            39   34  35 1
            40   35  36 2
            41   30  36 1
            42   34  37 1
            43   38  39 1
            44   35  39 1
            45   33  40 1
            46   40  41 1
            47   37  42 1
            48   27  43 1
            49   22  44 1
            50   17  45 1
            51   45  46 1
            52   46  47 1
            53   47  48 1
            54   47  49 1
            55   48  50 1
            56   49  51 1

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