KEGG   COMPOUND: C07548Help
Entry
C07548                      Compound                               

Name
Atracurium
Formula
C53H72N2O12
Exact mass
928.5085
Mol weight
929.145
Structure
Mol fileKCF fileDB search
Remark
ATC code: M03AC04
Drug group: DG00771
Pathway
map07221  Nicotinic cholinergic receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M03 MUSCLE RELAXANTS
   M03A MUSCLE RELAXANTS, PERIPHERALLY ACTING AGENTS
    M03AC Other quaternary ammonium compounds
     M03AC04 Atracurium
      C07548  Atracurium
BRITE hierarchy
Other DBs
CAS: 64228-79-1
PubChem: 9751
ChEBI: 2914
ChEMBL: CHEMBL1360
NIKKAJI: J292.641E
LinkDB All DBs
KCF data Show

ATOM        67
            1   C8y C    36.2357  -16.9147
            2   C1y C    35.0241  -17.6136
            3   C8y C    36.2357  -15.5087
            4   C8x C    37.4473  -17.6136
            5   N2y N    33.8123  -16.9147 #+
            6   C1b C    35.0241  -19.0108
            7   C8x C    37.4473  -14.8098
            8   C1x C    35.0241  -14.8098
            9   C8y C    38.6589  -16.9147
            10  C1x C    33.8123  -15.5087
            11  C1b C    32.6007  -16.2161
            12  C1a C    32.5920  -17.6046
            13  C8y C    33.8123  -19.7182
            14  C8y C    38.6589  -15.5087
            15  O2a O    39.8704  -17.6136
            16  C1b C    31.3892  -16.9237
            17  C8x C    32.6097  -19.0108
            18  C8x C    33.8213  -21.1157
            19  O2a O    39.8704  -14.8098
            20  C1a C    41.0820  -16.9147
            21  C7a C    30.1776  -16.2250
            22  C8y C    31.3892  -19.7182
            23  C8x C    32.6097  -21.8143
            24  C1a C    41.0820  -15.5087
            25  O7a O    28.9747  -16.9324
            26  O6a O    30.1776  -14.8188
            27  C8y C    31.3892  -21.1157
            28  O2a O    30.1776  -19.0108
            29  C1b C    27.7632  -16.2338
            30  O2a O    30.1776  -21.8143
            31  C1a C    28.9660  -19.7182
            32  C1b C    26.5516  -16.9324
            33  C1a C    28.9660  -21.1157
            34  C1b C    25.3400  -16.2338
            35  C1b C    24.1284  -16.9414
            36  C1b C    22.9168  -16.2427
            37  O7a O    21.7053  -16.9501
            38  C7a C    20.5024  -16.2515
            39  C1b C    19.2908  -16.9591
            40  O6a O    20.4934  -14.8542
            41  C1b C    18.0793  -16.2604
            42  N2y N    16.8764  -16.9678 #+
            43  C1y C    15.6559  -17.6664
            44  C1x C    16.8764  -15.5705
            45  C1a C    18.0793  -17.6577
            46  C8y C    14.4443  -16.9678
            47  C1b C    15.6559  -19.0639
            48  C1x C    15.6559  -14.8629
            49  C8y C    14.4443  -15.5705
            50  C8x C    13.2417  -17.6664
            51  C8y C    16.8677  -19.7713
            52  C8x C    13.2417  -14.8629
            53  C8y C    12.0211  -16.9678
            54  C8x C    18.0703  -19.0639
            55  C8x C    16.8587  -21.1688
            56  C8y C    12.0211  -15.5705
            57  O2a O    10.8183  -17.6664
            58  C8y C    19.2908  -19.7713
            59  C8x C    18.0703  -21.8674
            60  O2a O    10.8183  -14.8629
            61  C1a C     9.5980  -16.9678
            62  C8y C    19.2908  -21.1688
            63  O2a O    20.5024  -19.0639
            64  C1a C     9.5980  -15.5705
            65  O2a O    20.5024  -21.8674
            66  C1a C    21.7053  -19.7713
            67  C1a C    21.7053  -21.1688
BOND        72
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 2
            14    9  15 1
            15   11  16 1
            16   13  17 2
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   18  23 2
            23   19  24 1
            24   21  25 1
            25   21  26 2
            26   22  27 2
            27   22  28 1
            28   25  29 1
            29   27  30 1
            30   28  31 1
            31   29  32 1
            32   30  33 1
            33   32  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   38  40 2
            40   39  41 1
            41   41  42 1
            42   42  43 1
            43   42  44 1
            44   42  45 1
            45   43  46 1
            46   43  47 1
            47   44  48 1
            48   46  49 2
            49   46  50 1
            50   47  51 1
            51   49  52 1
            52   50  53 2
            53   51  54 2
            54   51  55 1
            55   52  56 2
            56   53  57 1
            57   54  58 1
            58   55  59 2
            59   56  60 1
            60   57  61 1
            61   58  62 2
            62   58  63 1
            63   60  64 1
            64   62  65 1
            65   63  66 1
            66   65  67 1
            67    8  10 1
            68    9  14 1
            69   23  27 1
            70   48  49 1
            71   53  56 1
            72   59  62 1

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