KEGG   DRUG: DeserpidineHelp
Entry
D08194                      Drug                                   

Name
Deserpidine (INN);
Halmonyl (TN)
Formula
C32H38N2O8
Exact mass
578.2628
Mol weight
578.6527
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Source
Rauwolfia canescens
Class
Cardiovascular agent
 DG01738  Centrally-acting antiadrenergic
  DG01737  Rauwolfia alkaloid
Remark
Same as: C06541
ATC code: C02AA05
Efficacy
Antihypertensive
Comment
Rauwolfia alkaloid
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02A ANTIADRENERGIC AGENTS, CENTRALLY ACTING
    C02AA Rauwolfia alkaloids
     C02AA05 Deserpidine
      D08194  Deserpidine (INN)
BRITE hierarchy
Other DBs
CAS: 131-01-1
PubChem: 96024884
ChEBI: 27478
ChEMBL: CHEMBL1200515
LigandBox: D08194
NIKKAJI: J10.010B
LinkDB All DBs
KCF data Show

ATOM        42
            1   C8x C    14.7000  -18.7600
            2   C8x C    14.7000  -20.1600
            3   C8x C    15.9124  -20.8600
            4   C8y C    17.1249  -20.1600
            5   C8y C    17.1249  -18.7600
            6   C8x C    15.9124  -18.0600
            7   N4x N    18.4564  -20.5926
            8   C8y C    19.2793  -19.4600
            9   C8y C    18.4564  -18.3274
            10  C1y C    20.6716  -19.3137
            11  N1y N    21.2410  -18.0347
            12  C1x C    20.4181  -16.9021
            13  C1x C    19.0258  -17.0484
            14  C1x C    21.4945  -20.4463
            15  C1y C    22.8868  -20.2999
            16  C1y C    23.4563  -19.0210
            17  C1x C    22.6334  -17.8883
            18  C1y C    23.7097  -21.4325
            19  C1y C    25.1021  -21.2862
            20  C1y C    25.6715  -20.0072
            21  C1x C    24.8486  -18.8746
            22  C7a C    23.1485  -22.6935
            23  O6a O    21.7789  -22.6975
            24  O7a O    23.9723  -23.8273
            25  O2a O    25.9314  -22.4280
            26  C1a C    27.2952  -22.4242
            27  C1a C    25.3351  -23.8233
            28  O7a O    27.0807  -19.9989
            29  C7a C    27.7668  -18.7945
            30  C8y C    29.1897  -18.7868
            31  C8x C    29.8848  -19.9754
            32  C8y C    31.2848  -19.9677
            33  C8y C    31.9780  -18.7514
            34  C8y C    31.2830  -17.5628
            35  C8x C    29.8830  -17.5706
            36  O6a O    27.0508  -17.5710
            37  O2a O    31.9749  -16.3490
            38  C1a C    33.3895  -16.4108
            39  O2a O    33.3899  -18.7435
            40  O2a O    31.9852  -21.1652
            41  C1a C    33.3899  -21.1574
            42  C1a C    34.0761  -17.5396
BOND        47
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 1
            21   15  18 1
            22   18  19 1
            23   19  20 1
            24   20  21 1
            25   16  21 1
            26   18  22 1 #Up
            27   22  23 2
            28   22  24 1
            29   19  25 1 #Down
            30   25  26 1
            31   24  27 1
            32   20  28 1 #Up
            33   28  29 1
            34   29  30 1
            35   30  31 2
            36   31  32 1
            37   32  33 2
            38   33  34 1
            39   34  35 2
            40   30  35 1
            41   29  36 2
            42   34  37 1
            43   37  38 1
            44   33  39 1
            45   32  40 1
            46   40  41 1
            47   39  42 1

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