KEGG   DRUG: Cisatracurium besylate
Entry
D00759                      Drug                                   

Name
Cisatracurium besylate (USP);
Cisatracurium besilate (INN);
Nimbex (TN)
Product
  Generic
Formula
C53H72N2O12. (C6H5O3S)2
Exact mass
1242.5004
Mol weight
1243.4792
Structure
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: M03AC11
Product: D00759<US>
Efficacy
Anesthetic (adjunct), Neuromuscular blocking agent
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
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
     M03AC11 Cisatracurium
      D00759  Cisatracurium besylate (USP) <US>
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN (neuronal type)
     D00759  Cisatracurium besylate (USP) <US>
Other DBs
CAS: 96946-42-8
PubChem: 7847824
ChEBI: 3721
ChEMBL: CHEMBL1200641 CHEMBL264974
DrugBank: DB00565
LigandBox: D00759
LinkDB
KCF data

ATOM        87
            1   C8y C    14.0067  -16.1755
            2   C1y C    15.2186  -16.8828
            3   C8y C    14.0157  -14.7779
            4   C8x C    12.8040  -16.8741
            5   N2y N    16.4388  -16.1932 #+
            6   C1b C    15.2186  -18.2714
            7   C8x C    12.8040  -14.0706
            8   C1x C    15.2362  -14.0793
            9   C8y C    11.5834  -16.1755
            10  C1x C    16.4478  -14.7869
            11  C1b C    17.6505  -15.4765
            12  C8y C    16.4301  -18.9700
            13  C8y C    11.5834  -14.7779
            14  O2a O    10.3806  -16.8741
            15  C1b C    18.8621  -16.1755
            16  C8x C    17.6328  -18.2627
            17  C8x C    16.4301  -20.3673
            18  O2a O    10.3806  -14.0706
            19  C1a C     9.1690  -16.1755
            20  C7a C    20.0739  -15.4765
            21  C8y C    18.8444  -18.9613
            22  C8x C    17.6418  -21.0573
            23  C1a C     9.1690  -14.7692
            24  O7a O    21.2765  -16.1755
            25  O6a O    20.0649  -14.0706
            26  C8y C    18.8534  -20.3586
            27  O2a O    20.0562  -18.2537
            28  C1b C    22.4882  -15.4678
            29  O2a O    20.0562  -21.0486
            30  C1a C    21.2589  -18.9523
            31  C1b C    23.7001  -16.1665
            32  C1a C    21.2589  -20.3496
            33  C1b C    24.9116  -15.4588
            34  C1b C    26.1232  -16.1578
            35  C1b C    27.3349  -15.4501
            36  O7a O    28.5465  -16.1488
            37  C7a C    29.7580  -15.4414
            38  C1b C    30.9697  -16.1401
            39  O6a O    29.7493  -14.0439
            40  C1b C    32.1813  -15.4414
            41  N2y N    33.3931  -16.1401 #+
            42  C1y C    34.6047  -16.8387
            43  C1x C    33.3931  -14.7338
            44  C1a C    32.1726  -16.8297
            45  C8y C    35.8163  -16.1401
            46  C1b C    34.6047  -18.2273
            47  C1x C    34.6047  -14.0352
            48  C8y C    35.8163  -14.7425
            49  C8x C    37.0280  -16.8297
            50  C8y C    33.3931  -18.9259
            51  C8x C    37.0369  -14.0439
            52  C8y C    38.2395  -16.1401
            53  C8x C    32.1726  -18.2273
            54  C8x C    33.3931  -20.3319
            55  C8y C    38.2395  -14.7425
            56  O2a O    39.4424  -16.8387
            57  C8y C    30.9520  -18.9346
            58  C8x C    32.1813  -21.0309
            59  O2a O    39.4424  -14.0352
            60  C1a C    40.6540  -16.1401
            61  C8y C    30.9609  -20.3409
            62  O2a O    29.7403  -18.2273
            63  C1a C    40.6540  -14.7338
            64  O2a O    29.7403  -21.0309
            65  C1a C    28.5378  -18.9259
            66  C1a C    28.5378  -20.3319
            67  C1a C    17.6415  -16.8693
            68  C8y C    12.4644  -20.8155
            69  C8x C    11.2438  -21.5142
            70  C8x C    13.6761  -21.5142
            71  S4a S    12.4467  -19.4092
            72  C8x C    11.2438  -22.9204
            73  C8x C    13.6761  -22.9204
            74  O1d O    11.0404  -19.4004
            75  O1d O    13.8530  -19.4092
            76  O1d O    12.4378  -18.0030 #-
            77  C8x C    12.4644  -23.6189
            78  C8y C    37.6462  -20.8936
            79  C8x C    36.4257  -21.6011
            80  C8x C    38.8578  -21.6011
            81  S4a S    37.6285  -19.4961
            82  C8x C    36.4257  -23.0074
            83  C8x C    38.8578  -23.0074
            84  O1d O    36.2223  -19.5574
            85  O1d O    39.0348  -19.4961
            86  O1d O    37.6898  -18.0901 #-
            87  C8x C    37.6462  -23.6971
BOND        92
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1 #Down
            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   41  40 1 #Up
            41   41  42 1
            42   41  43 1
            43   41  44 1
            44   42  45 1
            45   42  46 1 #Up
            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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