KEGG   COMPOUND: C06823Help
Entry
C06823                      Compound                               
Name
Amiodarone
Formula
C25H29I2NO3
Exact mass
645.0237
Mol weight
645.3116
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Other DBs
CAS: 
1951-25-3
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C8x C    17.7800  -21.6300
            2   C8x C    17.7800  -23.0300
            3   C8x C    18.9700  -23.7300
            4   C8y C    20.2300  -23.0300
            5   C8y C    20.2300  -21.6300
            6   C8x C    18.9700  -20.8600
            7   O2x O    21.5600  -23.4500
            8   C8y C    22.4000  -22.3300
            9   C8y C    21.5600  -21.1400
            10  C5a C    21.5600  -19.7400
            11  C8y C    22.7500  -19.0400
            12  O5a O    20.3700  -19.0400
            13  C8x C    24.0100  -19.7400
            14  C8y C    25.2000  -19.0400
            15  C8y C    25.2000  -17.6400
            16  C8y C    24.0100  -16.9400
            17  C8x C    22.7500  -17.6400
            18  O2a O    26.4600  -16.9400
            19  X   I    26.4600  -19.7400
            20  X   I    24.0100  -15.5400
            21  C1b C    27.6500  -17.6400
            22  C1b C    28.8400  -16.9400
            23  N1c N    30.0300  -17.6400
            24  C1b C    31.2200  -16.9400
            25  C1b C    30.0300  -19.0400
            26  C1a C    31.2200  -19.7400
            27  C1a C    32.4100  -17.6400
            28  C1b C    23.7300  -22.3300
            29  C1b C    24.4300  -23.5200
            30  C1b C    25.8300  -23.5200
            31  C1a C    26.5300  -24.7100
BOND        33
            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    9  10 1
            12   10  11 1
            13   10  12 2
            14   11  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   11  17 1
            20   15  18 1
            21   14  19 1
            22   16  20 1
            23   18  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   23  25 1
            28   25  26 1
            29   24  27 1
            30    8  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1

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