KEGG   COMPOUND: C07550
Entry
C07550                      Compound                               

Name
Mivacurium
Formula
C58H80N2O14
Exact mass
1028.561
Mol weight
1029.2608
Structure
Pathway
map07221  Nicotinic cholinergic receptor antagonists
Other DBs
CAS: 106791-40-6
PubChem: 9753
ChEBI: 6958
ChEMBL: CHEMBL1182833
NIKKAJI: J283.273I
LinkDB
KCF data

ATOM        74
            1   C1y C    13.5579  -15.6405
            2   C8y C    12.3433  -14.9396
            3   N2y N    14.7722  -14.9396 #+
            4   C1b C    13.5478  -17.0326
            5   C8y C    12.3433  -13.5375
            6   C8x C    11.1387  -15.6405
            7   C1x C    14.7722  -13.5375
            8   C1b C    15.9667  -14.2286
            9   C1a C    15.9667  -15.6308
            10  C8y C    14.7621  -17.7435
            11  C8x C    11.1387  -12.8365
            12  C1x C    13.5579  -12.8365
            13  C8y C     9.9144  -14.9396
            14  C1b C    17.1813  -14.9295
            15  C8x C    15.9570  -17.0326
            16  C8x C    14.7524  -19.1454
            17  C8y C     9.9144  -13.5375
            18  O2a O     8.7001  -15.6405
            19  C1b C    18.3858  -14.2286
            20  C8y C    17.1713  -17.7435
            21  C8y C    15.9570  -19.8365
            22  O2a O     8.7001  -12.8365
            23  C1a C     7.4858  -14.9396
            24  O7a O    19.6001  -14.9295
            25  C8y C    17.1713  -19.1454
            26  O2a O    18.3858  -17.0326
            27  O2a O    15.9570  -21.2387
            28  C1a C     7.4858  -13.5375
            29  C7a C    20.8144  -14.2286
            30  O2a O    18.3858  -19.8365
            31  C1a C    19.6001  -17.7435
            32  C1a C    17.1713  -21.9396
            33  C1b C    22.0190  -14.9295
            34  O6a O    20.8144  -12.8265
            35  C1a C    19.6001  -19.1454
            36  C1b C    23.2336  -14.2286
            37  C2b C    24.4478  -14.9295
            38  C2b C    25.6424  -14.2286
            39  C1b C    26.8667  -14.9295
            40  C1b C    28.0713  -14.2286
            41  C7a C    29.2956  -14.9295
            42  O7a O    30.5001  -14.2286
            43  O6a O    29.2956  -16.3317
            44  C1b C    31.7244  -14.9295
            45  C1b C    32.9290  -14.2189
            46  C1b C    34.1533  -14.9198
            47  N2y N    35.3579  -14.2286 #+
            48  C1y C    36.5722  -14.9295
            49  C1x C    35.3579  -12.8265
            50  C1a C    34.1533  -13.5375
            51  C8y C    37.7864  -14.2286
            52  C1b C    36.5722  -16.6817
            53  C1x C    36.5722  -12.1256
            54  C8y C    37.7864  -12.8265
            55  C8x C    38.9910  -14.9295
            56  C8y C    35.3579  -17.3826
            57  C8x C    38.9910  -12.1256
            58  C8y C    40.2056  -14.2286
            59  C8x C    34.1630  -16.6817
            60  C8x C    35.3676  -18.7747
            61  C8y C    40.2056  -12.8265
            62  O2a O    41.4199  -14.9295
            63  C8y C    32.9487  -17.3729
            64  C8y C    34.1630  -19.4856
            65  O2a O    41.4199  -12.1256
            66  C1a C    42.6342  -14.2286
            67  C8y C    32.9487  -18.7747
            68  O2a O    31.7342  -16.6817
            69  O2a O    34.1630  -20.8875
            70  C1a C    42.6342  -12.8265
            71  O2a O    31.7342  -19.4856
            72  C1a C    30.5199  -17.3729
            73  C1a C    32.9487  -21.5786
            74  C1a C    30.5199  -18.7747
BOND        79
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    8  14 1
            14   10  15 2
            15   10  16 1
            16   11  17 2
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   21  27 1
            27   22  28 1
            28   24  29 1
            29   25  30 1
            30   26  31 1
            31   27  32 1
            32   29  33 1
            33   29  34 2
            34   30  35 1
            35   33  36 1
            36   36  37 1
            37   37  38 2
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   41  43 2
            43   42  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   47  49 1
            49   47  50 1
            50   48  51 1
            51   48  52 1 #Up
            52   49  53 1
            53   51  54 2
            54   51  55 1
            55   52  56 1
            56   54  57 1
            57   55  58 2
            58   56  59 2
            59   56  60 1
            60   57  61 2
            61   58  62 1
            62   59  63 1
            63   60  64 2
            64   61  65 1
            65   62  66 1
            66   63  67 2
            67   63  68 1
            68   64  69 1
            69   65  70 1
            70   67  71 1
            71   68  72 1
            72   69  73 1
            73   71  74 1
            74    7  12 1
            75   13  17 1
            76   21  25 1
            77   53  54 1
            78   58  61 1
            79   64  67 1

» Japanese version

KEGG   DRUG: Mivacurium chloride
Entry
D00763                      Drug                                   

Name
Mivacurium chloride (USAN/INN);
Mivacron (TN)
Formula
C58H80N2O14. 2Cl
Exact mass
1098.4987
Mol weight
1100.1668
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: M03AC10
Efficacy
Neuromuscular blocking agent
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
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
     M03AC10 Mivacurium chloride
      D00763  Mivacurium chloride (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN (neuronal type)
     D00763  Mivacurium chloride (USAN/INN)
Other DBs
CAS: 106861-44-3
PubChem: 7847828
ChEBI: 6959
ChEMBL: CHEMBL984
DrugBank: DB01226
LigandBox: D00763
NIKKAJI: J285.281K
LinkDB
KCF data

ATOM        76
            1   C1y C    36.6213  -14.9409
            2   C8y C    37.8361  -14.2398
            3   N2y N    35.4063  -14.2398 #+
            4   C1b C    36.6213  -16.6936
            5   C8y C    37.8361  -12.8471
            6   C8x C    39.0411  -14.9409
            7   C1x C    35.4063  -12.8371
            8   C1b C    34.2013  -14.9409
            9   C1a C    34.1915  -13.5383
            10  C8y C    35.3965  -17.3848
            11  C8x C    39.0508  -12.1457
            12  C1x C    36.6213  -12.1359
            13  C8y C    40.2559  -14.2495
            14  C1b C    32.9865  -14.2495
            15  C8x C    34.1815  -16.6836
            16  C8x C    35.3965  -18.7971
            17  C8y C    40.2559  -12.8471
            18  O2a O    41.4609  -14.9409
            19  C1b C    31.7718  -14.9510
            20  C8y C    32.9667  -17.3848
            21  C8y C    34.1915  -19.4986
            22  O2a O    41.4609  -12.1359
            23  C1a C    42.6759  -14.2398
            24  O7a O    30.5567  -14.2595
            25  C8y C    32.9667  -18.7971
            26  O2a O    31.7520  -16.6836
            27  O2a O    34.1815  -20.8812
            28  C1a C    42.6759  -12.8371
            29  C7a C    29.3420  -14.9510
            30  O2a O    31.7520  -19.4886
            31  C1a C    30.5369  -17.3848
            32  C1a C    32.9667  -21.5827
            33  C1b C    28.1269  -14.2595
            34  C1a C    30.5369  -18.7874
            35  C1b C    26.9219  -14.9607
            36  C2b C    25.7071  -14.2693
            37  C2b C    24.5021  -14.9704
            38  C1b C    23.2874  -14.2793
            39  C1b C    22.0723  -14.9704
            40  C7a C    20.8576  -14.2793
            41  O7a O    19.6428  -14.9805
            42  O6a O    20.8478  -12.8766
            43  C1b C    18.4278  -14.2890
            44  C1b C    17.2130  -14.9902
            45  C1b C    16.0080  -14.2990
            46  N2y N    14.8730  -15.0002 #+
            47  C1y C    13.5882  -15.7014
            48  C1x C    14.8130  -13.5976
            49  C1a C    16.0080  -15.7014
            50  C8y C    12.3732  -14.9902
            51  C1b C    13.5782  -17.1041
            52  C1x C    13.5980  -12.8964
            53  C8y C    12.3732  -13.5878
            54  C8x C    11.1682  -15.6917
            55  C8y C    14.7932  -17.7955
            56  C8x C    11.1682  -12.8867
            57  C8y C     9.9437  -14.9902
            58  C8x C    14.7832  -19.1979
            59  C8x C    16.0080  -17.1041
            60  C8y C     9.9437  -13.5878
            61  O2a O     8.7286  -15.6917
            62  C8y C    15.9882  -19.9091
            63  C8y C    17.2130  -17.8053
            64  O2a O     8.7286  -12.8867
            65  C1a C     7.5236  -14.9902
            66  C8y C    17.2130  -19.2177
            67  O2a O    15.9785  -21.3017
            68  O2a O    18.4278  -17.1041
            69  C1a C     7.5236  -13.5778
            70  O2a O    18.4180  -19.9091
            71  C1a C    17.1933  -21.9932
            72  C1a C    19.6328  -17.7955
            73  C1a C    19.6328  -19.2177
            74  O6a O    29.3423  -16.3799
            75  X   Cl   14.7000  -11.6200 #-
            76  X   Cl   35.1400  -10.8500 #-
BOND        79
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    8  14 1
            14   10  15 2
            15   10  16 1
            16   11  17 2
            17   13  18 1
            18   14  19 1
            19   15  20 1
            20   16  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 2
            25   20  26 1
            26   21  27 1
            27   22  28 1
            28   24  29 1
            29   25  30 1
            30   26  31 1
            31   27  32 1
            32   29  33 1
            33   30  34 1
            34   33  35 1
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   40  42 2
            42   41  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   46  48 1
            48   46  49 1
            49   47  50 1
            50   47  51 1 #Down
            51   48  52 1
            52   50  53 2
            53   50  54 1
            54   51  55 1
            55   53  56 1
            56   54  57 2
            57   55  58 1
            58   55  59 2
            59   56  60 2
            60   57  61 1
            61   58  62 2
            62   59  63 1
            63   60  64 1
            64   61  65 1
            65   62  66 1
            66   62  67 1
            67   63  68 1
            68   64  69 1
            69   66  70 1
            70   67  71 1
            71   68  72 1
            72   70  73 1
            73    7  12 1
            74   13  17 1
            75   21  25 1
            76   52  53 1
            77   57  60 1
            78   63  66 2
            79   29  74 2

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