KEGG   DRUG: D02207Help
Entry
D02207                      Drug                                   

Name
Tubocurarine chloride hydrate (JAN);
Tubocurarine chloride (USP);
Tubocurarine chloride (TN)
Formula
C37H41N2O6. 5H2O. HCl. Cl
Exact mass
770.2948
Mol weight
771.7216
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Neuromuscular blocking agent
Remark
ATC code: 
Drug group: 
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
Structure map
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
    M03AA Curare alkaloids
     M03AA02 Tubocurarine
      D02207  Tubocurarine chloride hydrate (JAN); Tubocurarine chloride (USP)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Cys-loop superfamily
   Acetylcholine (nicotinic)
    muscle-type nicotinic cholinergic receptor
     Tubocurarine
      D02207  Tubocurarine chloride hydrate (JAN); Tubocurarine chloride (USP)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    D02207  Tubocurarine chloride (JP15/USP)
    D02207  Tubocurarine chloride (JP15/USP)
BRITE hierarchy
Other DBs
CAS: 
6989-98-6
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        52
            1   X   Cl   15.6030  -16.1928 #-
            2   X   Cl   31.3300  -19.0733
            3   O0  O    31.8666  -22.1467
            4   C8y C    22.5432  -16.0137
            5   C1y C    21.4251  -16.7125
            6   C8y C    22.5432  -14.6860
            7   C8y C    23.7312  -16.7125
            8   N2y N    20.2372  -16.0137 #+
            9   C1x C    21.4251  -18.0403
            10  C8x C    23.7312  -13.9872
            11  C1x C    21.3553  -13.9872
            12  C8y C    24.9192  -16.0137
            13  C1x C    20.2372  -14.6860
            14  C1a C    19.1191  -15.3848
            15  C8y C    20.2372  -19.0885
            16  C8y C    24.9192  -14.6860
            17  O1a O    26.0373  -16.7125
            18  C8x C    19.1191  -18.4596
            19  C8x C    20.2372  -20.4162
            20  O2a O    26.0373  -13.9872
            21  C8x C    17.9311  -19.0885
            22  C8y C    19.1889  -21.1151
            23  C1a C    27.1554  -14.6860
            24  C8y C    17.9311  -20.4162
            25  O1a O    16.7431  -21.1151
            26  C1a C    19.1191  -16.7125
            27  O2x O    23.7312  -18.0403
            28  N1y N    25.1288  -23.5609
            29  C1y C    23.9409  -22.8621
            30  C1x C    25.1288  -25.0284
            31  C8y C    22.7529  -23.5609
            32  C1x C    26.1072  -21.9536
            33  C1x C    23.9409  -25.6573
            34  C8y C    22.7529  -24.9585
            35  C8x C    21.5649  -22.9320
            36  C8x C    24.8493  -20.4861
            37  C8x C    21.5649  -25.6573
            38  C8y C    20.3769  -23.5609
            39  C8y C    26.1072  -21.1849
            40  C8x C    24.8493  -19.0885
            41  C8y C    20.3769  -24.9585
            42  O2x O    19.1889  -22.8621
            43  C8x C    27.2952  -20.4861
            44  C8y C    26.0373  -18.3897
            45  O2a O    19.1889  -25.6573
            46  C8x C    27.2952  -19.0186
            47  C1a C    17.9311  -25.0284
            48  C1a C    26.3168  -22.8621
            49  O0  O    31.8666  -22.1467
            50  O0  O    31.8666  -22.1467
            51  O0  O    31.8666  -22.1467
            52  O0  O    31.8666  -22.1467
BOND        51
            1    24  25 1
            2    11  13 1
            3    12  16 1
            4    22  24 1
            5    26   8 1
            6     7  27 1
            7     4   5 1
            8     4   6 2
            9     4   7 1
            10    5   8 1
            11    5   9 1
            12    6  10 1
            13    6  11 1
            14    7  12 2
            15    8  13 1
            16    8  14 1
            17    9  15 1
            18   10  16 2
            19   12  17 1
            20   15  18 2
            21   15  19 1
            22   16  20 1
            23   18  21 1
            24   19  22 2
            25   20  23 1
            26   21  24 2
            27   28  29 1
            28   28  30 1
            29   29  31 1
            30   29  32 1
            31   30  33 1
            32   31  34 2
            33   31  35 1
            34   34  37 1
            35   35  38 2
            36   36  39 2
            37   36  40 1
            38   37  41 2
            39   38  42 1
            40   39  43 1
            41   40  44 2
            42   41  45 1
            43   43  46 2
            44   45  47 1
            45   33  34 1
            46   38  41 1
            47   44  46 1
            48   28  48 1
            49   27  44 1
            50   22  42 1
            51   39  32 1
BRACKET     1    29.6800  -23.2400   29.6800  -21.0700
            1    32.4800  -21.0700   32.4800  -23.2400
            1  5
 ORIGINAL  1    3
 REPEAT    1   51  52  53  54

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