KEGG   DRUG: Bendacalol mesylate
Entry
D03078                      Drug                                   
Name
Bendacalol mesylate (USAN)
Formula
C20H23NO6. CH4SO3
Exact mass
469.1407
Mol weight
469.51
Structure
Efficacy
Antihypertensive
Comment
Sotalol derivative
Other DBs
CAS: 81737-62-4
PubChem: 17397233
LigandBox: D03078
LinkDB
KCF data

ATOM        32
            1   C8x C    16.3213  -14.9368
            2   C8x C    16.3213  -16.3413
            3   C8x C    17.5376  -17.0436
            4   C8y C    18.7540  -16.3413
            5   C8y C    18.7540  -14.9368
            6   C8x C    17.5376  -14.2346
            7   O2x O    19.9703  -17.0436
            8   C1y C    21.1866  -16.3413
            9   C1x C    21.1866  -14.9368
            10  O2x O    19.9703  -14.2346
            11  C1c C    22.3880  -17.0351
            12  C1b C    23.5802  -16.3469
            13  N1b N    24.7748  -17.0367
            14  C1b C    25.9682  -16.3477
            15  C1c C    27.1622  -17.0371
            16  C1y C    28.3561  -16.3479
            17  O2x O    29.5724  -17.0501
            18  C8y C    30.7887  -16.3479
            19  C8y C    30.7887  -14.9433
            20  O2x O    29.5724  -14.2411
            21  C1x C    28.3561  -14.9433
            22  C8x C    32.0051  -17.0501
            23  C8x C    33.2214  -16.3479
            24  C8x C    33.2214  -14.9433
            25  C8x C    32.0051  -14.2411
            26  O1a O    22.3881  -18.4478
            27  O1a O    27.1623  -18.4479
            28  S4a S    38.7495  -16.4251
            29  C1a C    37.3498  -16.4193
            30  O1d O    40.1491  -16.4251
            31  O1d O    38.8136  -15.0254
            32  O1d O    38.8136  -17.8248
BOND        34
            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 1
            10    9  10 1
            11   10   5 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   16  21 1
            24   18  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   19  25 2
            29   11  26 1 #Down
            30   15  27 1 #Down
            31   28  29 1
            32   28  30 1
            33   28  31 2
            34   28  32 2

» Japanese version   » Back

DBGET integrated database retrieval system