KEGG   DRUG: D00760Help
Entry
D00760                      Drug                                   

Name
Doxacurium chloride (USAN/INN);
Nuromax (TN)
Formula
C56H78N2O16. 2Cl
Exact mass
1104.4728
Mol weight
1106.1283
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Neuromuscular blocking agent
Remark
ATC code: 
Target
muscle-type nicotinic cholinergic receptor antagonist [HSA:1134 1140 1144 1145 1146] [KO:K04803 K04812 K04816 K04817 K04818]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug 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
     M03AC07 Doxacurium chloride
      D00760  Doxacurium chloride (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    muscle-type nicotinic cholinergic receptor [HSA:1134 1140 1144 1145 1146] [KO:K04803 K04812 K04816 K04817 K04818]
     Doxacurium chloride [ATC:M03AC07]
      D00760  Doxacurium chloride (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
106819-53-8
PubChem: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        76
            1   C8y C    19.9073  -13.6460
            2   C1y C    21.1006  -14.3484
            3   C8y C    19.9073  -12.2496
            4   C8y C    18.7057  -14.3484
            5   N2y N    22.3194  -13.6544 #+
            6   C1b C    21.1006  -15.7363
            7   C8x C    18.7057  -11.5556
            8   C1x C    21.1174  -11.5641
            9   C8y C    17.4955  -13.6460
            10  O2a O    18.6971  -15.7363
            11  C1x C    22.3194  -12.2580
            12  C1b C    23.5126  -12.9604
            13  C1a C    23.6564  -14.3662
            14  C8y C    22.3024  -16.4218
            15  C8y C    17.4955  -12.2496
            16  O2a O    16.2854  -14.3484
            17  C1a C    17.4955  -16.4218
            18  C1b C    24.7228  -13.6460
            19  C8x C    22.3107  -17.8097
            20  C8x C    23.5040  -15.7277
            21  O2a O    16.2854  -11.5556
            22  C1a C    15.0836  -13.6460
            23  C1b C    25.9244  -12.9520
            24  C8y C    23.5126  -18.5037
            25  C8y C    24.7141  -16.4132
            26  C1a C    15.0836  -12.2410
            27  O7a O    27.1347  -13.6375
            28  C8y C    24.7141  -17.8013
            29  O2a O    23.5126  -19.8916
            30  O2a O    25.9160  -15.7108
            31  C7a C    28.3450  -12.9434
            32  O2a O    25.9160  -18.4951
            33  C1a C    24.7141  -20.5854
            34  C1a C    27.1178  -16.4048
            35  C1b C    29.5465  -13.6291
            36  O6a O    28.3363  -11.5472
            37  C1a C    27.1178  -17.8013
            38  C1b C    30.7484  -12.9351
            39  C7a C    31.9499  -13.6206
            40  O7a O    33.1602  -12.9265
            41  O6a O    31.9499  -15.0170
            42  C1b C    34.3620  -13.6206
            43  C1b C    35.5721  -12.9265
            44  C1b C    36.7737  -13.6122
            45  N2y N    37.9839  -12.9182 #+
            46  C1y C    39.1940  -13.6122
            47  C1x C    37.9839  -11.5217
            48  C1a C    36.7737  -12.2157
            49  C8y C    40.3876  -12.9182
            50  C1b C    39.1940  -15.5566
            51  C1x C    39.1940  -10.8279
            52  C8y C    40.3959  -11.5303
            53  C8y C    41.5892  -13.6122
            54  C8y C    37.9839  -16.2504
            55  C8x C    41.5978  -10.8279
            56  C8y C    42.7994  -12.9182
            57  O2a O    41.5892  -14.9914
            58  C8x C    36.7737  -15.5480
            59  C8x C    37.9839  -17.6469
            60  C8y C    42.7994  -11.5303
            61  O2a O    44.0012  -13.6122
            62  C1a C    42.7910  -15.6855
            63  C8y C    35.5636  -16.2504
            64  C8y C    36.7737  -18.3493
            65  O2a O    44.0012  -10.8279
            66  C1a C    45.2113  -12.9182
            67  C8y C    35.5636  -17.6554
            68  O2a O    34.3533  -15.5480
            69  O2a O    36.7737  -19.7288
            70  C1a C    45.2113  -11.5217
            71  O2a O    34.3533  -18.3409
            72  C1a C    33.1432  -16.2504
            73  C1a C    35.5636  -20.4226
            74  C1a C    33.1432  -17.6469
            75  X   Cl   23.4364  -11.6799 #-
            76  X   Cl   36.6310  -10.9085 #-
BOND        79
            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     4  10 1
            10    5  11 1
            11    5  12 1
            12    5  13 1
            13    6  14 1
            14    7  15 2
            15    9  16 1
            16   10  17 1
            17   12  18 1
            18   14  19 1
            19   14  20 2
            20   15  21 1
            21   16  22 1
            22   18  23 1
            23   19  24 2
            24   20  25 1
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28   24  29 1
            29   25  30 1
            30   27  31 1
            31   28  32 1
            32   29  33 1
            33   30  34 1
            34   31  35 1
            35   31  36 2
            36   32  37 1
            37   35  38 1
            38   38  39 1
            39   39  40 1
            40   39  41 2
            41   40  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   45  47 1
            47   45  48 1
            48   46  49 1
            49   46  50 1
            50   47  51 1
            51   49  52 2
            52   49  53 1
            53   50  54 1
            54   52  55 1
            55   53  56 2
            56   53  57 1
            57   54  58 2
            58   54  59 1
            59   55  60 2
            60   56  61 1
            61   57  62 1
            62   58  63 1
            63   59  64 2
            64   60  65 1
            65   61  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    8  11 1
            75    9  15 1
            76   25  28 2
            77   51  52 1
            78   56  60 1
            79   64  67 1

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