KEGG   DRUG: Budiodarone
Entry
D09590                      Drug                                   
Name
Budiodarone (USAN/INN)
Formula
C27H31I2NO5
Exact mass
703.0292
Mol weight
703.35
Structure
Simcomp
Remark
Chemical structure group: DG01384
Efficacy
Antiarrhythmic
Comment
Amiodarone [DR:D02910] analog
Other DBs
CAS: 335148-45-3
PubChem: 124490330
LigandBox: D09590
LinkDB
KCF data

ATOM        35
            1   C8x C    11.8300  -24.2200
            2   C8x C    11.8300  -25.6200
            3   C8x C    13.0424  -26.3200
            4   C8y C    14.2549  -25.6200
            5   C8y C    14.2549  -24.2200
            6   C8x C    13.0424  -23.5200
            7   O2x O    15.5864  -26.0526
            8   C8y C    16.4093  -24.9200
            9   C8y C    15.5864  -23.7874
            10  C1b C    17.7800  -24.9200
            11  C5a C    15.5864  -22.3874
            12  C8y C    16.8108  -21.6802
            13  O5a O    14.3971  -21.7008
            14  C8x C    18.0237  -22.3802
            15  C8y C    19.2360  -21.6800
            16  C8y C    19.2357  -20.2800
            17  C8y C    18.0229  -19.5800
            18  C8x C    16.8105  -20.2802
            19  O2a O    20.4499  -19.5787
            20  X   I    20.4678  -22.3907
            21  X   I    18.0222  -18.2004
            22  C1b C    21.6641  -20.2794
            23  C1b C    22.8419  -19.5991
            24  N1c N    24.0383  -20.2897
            25  C1b C    25.2249  -19.6043
            26  C1b C    24.0387  -21.6997
            27  C1a C    26.4168  -20.2924
            28  C1a C    25.2297  -22.3872
            29  C7a C    18.4800  -26.1324
            30  O7a O    19.8798  -26.1324
            31  O6a O    17.7896  -27.3279
            32  C1c C    20.5703  -27.3280
            33  C1b C    21.9797  -27.3280
            34  C1a C    22.6921  -26.0946
            35  C1a C    19.8848  -28.5152
BOND        37
            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    9  11 1
            13   11  12 1
            14   11  13 2
            15   12  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   12  18 1
            21   16  19 1
            22   15  20 1
            23   17  21 1
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   24  26 1
            29   25  27 1
            30   26  28 1
            31   10  29 1
            32   29  30 1
            33   29  31 2
            34   30  32 1
            35   32  33 1
            36   33  34 1
            37   32  35 1 #Down

» Japanese version   » Back

DBGET integrated database retrieval system