KEGG   DRUG: Atracurium besylateHelp
Entry
D00758                      Drug                                   

Name
Atracurium besylate (USP);
Atracurium besilate (INN);
Tracrium (TN)
Product
  Generic
Formula
C53H72N2O12. (C6H5O3S)2
Exact mass
1242.5004
Mol weight
1243.4792
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG02029  Muscle relaxant
  DG01696  Peripherally-acting muscle relaxant
   DG01742  Quaternary ammonium compound type muscle relaxant
 DG01696  Peripherally-acting muscle relaxant
  DG01742  Quaternary ammonium compound type muscle relaxant
Remark
ATC code: M03AC04
Chemical structure group: DG00771
Product (DG00771): D00758<US>
Efficacy
Neuromuscular blocking agent
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Structure map
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
      D00758  Atracurium besylate (USP) <US>
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN (neuronal type)
     D00758  Atracurium besylate (USP) <US>
BRITE hierarchy
Other DBs
CAS: 64228-81-5
PubChem: 7847823
ChEBI: 2915
ChEMBL: CHEMBL1200527
DrugBank: DB00732
LigandBox: D00758
NIKKAJI: J311.966A
LinkDB All DBs
KCF data Show

ATOM        87
            1   C8y C    14.4270  -12.9558
            2   C1y C    15.6389  -13.6631
            3   C8y C    14.4360  -11.5582
            4   C8x C    13.2243  -13.6544
            5   N2y N    16.8592  -12.9735 #+
            6   C1b C    15.6389  -15.0517
            7   C8x C    13.2243  -10.8508
            8   C1x C    15.6566  -10.8595
            9   C8y C    12.0037  -12.9558
            10  C1x C    16.8682  -11.5672
            11  C1b C    18.0709  -12.2568
            12  C8y C    16.8505  -15.7504
            13  C8y C    12.0037  -11.5582
            14  O2a O    10.8008  -13.6544
            15  C1b C    19.2825  -12.9558
            16  C8x C    18.0532  -15.0430
            17  C8x C    16.8505  -17.1477
            18  O2a O    10.8008  -10.8508
            19  C1a C     9.5892  -12.9558
            20  C7a C    20.4944  -12.2568
            21  C8y C    19.2648  -15.7417
            22  C8x C    18.0622  -17.8377
            23  C1a C     9.5892  -11.5495
            24  O7a O    21.6970  -12.9558
            25  O6a O    20.4854  -10.8508
            26  C8y C    19.2738  -17.1390
            27  O2a O    20.4767  -15.0340
            28  C1b C    22.9087  -12.2481
            29  O2a O    20.4767  -17.8290
            30  C1a C    21.6794  -15.7327
            31  C1b C    24.1206  -12.9468
            32  C1a C    21.6794  -17.1300
            33  C1b C    25.3322  -12.2391
            34  C1b C    26.5438  -12.9381
            35  C1b C    27.7555  -12.2304
            36  O7a O    28.9671  -12.9291
            37  C7a C    30.1787  -12.2217
            38  C1b C    31.3904  -12.9204
            39  O6a O    30.1700  -10.8241
            40  C1b C    32.6020  -12.2217
            41  N2y N    33.8139  -12.9204 #+
            42  C1y C    35.0255  -13.6190
            43  C1x C    33.8139  -11.5141
            44  C1a C    32.5933  -13.6100
            45  C8y C    36.2371  -12.9204
            46  C1b C    35.0255  -15.0076
            47  C1x C    35.0255  -10.8154
            48  C8y C    36.2371  -11.5228
            49  C8x C    37.4488  -13.6100
            50  C8y C    33.8139  -15.7063
            51  C8x C    37.4577  -10.8241
            52  C8y C    38.6604  -12.9204
            53  C8x C    32.5933  -15.0076
            54  C8x C    33.8139  -17.1123
            55  C8y C    38.6604  -11.5228
            56  O2a O    39.8633  -13.6190
            57  C8y C    31.3727  -15.7150
            58  C8x C    32.6020  -17.8113
            59  O2a O    39.8633  -10.8154
            60  C1a C    41.0749  -12.9204
            61  C8y C    31.3816  -17.1213
            62  O2a O    30.1610  -15.0076
            63  C1a C    41.0749  -11.5141
            64  O2a O    30.1610  -17.8113
            65  C1a C    28.9584  -15.7063
            66  C1a C    28.9584  -17.1123
            67  C1a C    18.0619  -13.6496
            68  C8y C    12.8847  -17.5959
            69  C8x C    11.6641  -18.2946
            70  C8x C    14.0964  -18.2946
            71  S4a S    12.8670  -16.1896
            72  C8x C    11.6641  -19.7008
            73  C8x C    14.0964  -19.7008
            74  O1d O    11.4607  -16.1808
            75  O1d O    14.2733  -16.1896
            76  O1d O    12.8581  -14.7833 #-
            77  C8x C    12.8847  -20.3994
            78  C8y C    38.0671  -17.6740
            79  C8x C    36.8465  -18.3815
            80  C8x C    39.2787  -18.3815
            81  S4a S    38.0494  -16.2765
            82  C8x C    36.8465  -19.7878
            83  C8x C    39.2787  -19.7878
            84  O1d O    36.6431  -16.3378
            85  O1d O    39.4557  -16.2765
            86  O1d O    38.1107  -14.8704 #-
            87  C8x C    38.0671  -20.4776
BOND        92
            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    6  12 1
            12    7  13 2
            13    9  14 1
            14   11  15 1
            15   12  16 2
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 1
            21   17  22 2
            22   18  23 1
            23   20  24 1
            24   20  25 2
            25   21  26 2
            26   21  27 1
            27   24  28 1
            28   26  29 1
            29   27  30 1
            30   28  31 1
            31   29  32 1
            32   31  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   37  39 2
            39   38  40 1
            40   40  41 1
            41   41  42 1
            42   41  43 1
            43   41  44 1
            44   42  45 1
            45   42  46 1
            46   43  47 1
            47   45  48 2
            48   45  49 1
            49   46  50 1
            50   48  51 1
            51   49  52 2
            52   50  53 2
            53   50  54 1
            54   51  55 2
            55   52  56 1
            56   53  57 1
            57   54  58 2
            58   55  59 1
            59   56  60 1
            60   57  61 2
            61   57  62 1
            62   59  63 1
            63   61  64 1
            64   62  65 1
            65   64  66 1
            66    8  10 1
            67    9  13 1
            68   22  26 1
            69   47  48 1
            70   52  55 1
            71   58  61 1
            72   67   5 1
            73   68  69 1
            74   68  70 2
            75   68  71 1
            76   69  72 2
            77   70  73 1
            78   71  74 2
            79   71  75 2
            80   71  76 1
            81   72  77 1
            82   73  77 2
            83   78  79 1
            84   78  80 2
            85   78  81 1
            86   79  82 2
            87   80  83 1
            88   81  84 2
            89   81  85 2
            90   81  86 1
            91   82  87 1
            92   83  87 2

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