KEGG   DRUG: Tubocurarine chloride
Entry
D08655                      Drug                                   

Name
Tubocurarine chloride (INN);
Tubaine (TN);
Tubocurarine Chloride (TN)
Formula
C37H42N2O6. 2Cl
Exact mass
680.242
Mol weight
681.6452
Structure
Simcomp
Class
Other
 DG02029  Muscle relaxant
  DG01696  Peripherally-acting muscle relaxant
   DG01740  Curare alkaloid
 DG01696  Peripherally-acting muscle relaxant
  DG01740  Curare alkaloid
Remark
ATC code: M03AA02
Chemical structure group: DG00767
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
    M03AA Curare alkaloids
     M03AA02 Tubocurarine
      D08655  Tubocurarine chloride (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN (neuronal type)
     D08655  Tubocurarine chloride (INN)
Other DBs
CAS: 57-94-3
PubChem: 96025338
ChEMBL: CHEMBL292280
LigandBox: D08655
NIKKAJI: J237.605I
LinkDB
KCF data

ATOM        47
            1   X   Cl   18.3400  -14.2800 #-
            2   C8y C    25.2700  -14.1400
            3   C1y C    24.1500  -14.8400
            4   C8y C    25.2700  -12.8100
            5   C8y C    26.4600  -14.8400
            6   N2y N    22.9600  -14.1400 #+
            7   C1x C    24.1500  -16.1700
            8   C8x C    26.4600  -12.1100
            9   C1x C    24.0800  -12.1100
            10  C8y C    27.6500  -14.1400
            11  C1x C    22.9600  -12.8100
            12  C1a C    21.8400  -13.5100
            13  C8y C    22.9600  -17.2200
            14  C8y C    27.6500  -12.8100
            15  O1a O    28.7700  -14.8400
            16  C8x C    21.8400  -16.5900
            17  C8x C    22.9600  -18.5500
            18  O2a O    28.7700  -12.1100
            19  C8x C    20.6500  -17.2200
            20  C8y C    21.9100  -19.2500
            21  C1a C    29.8900  -12.8100
            22  C8y C    20.6500  -18.5500
            23  O1a O    19.4600  -19.2500
            24  C1a C    21.8400  -14.8400
            25  O2x O    26.4600  -16.1700
            26  N2y N    27.8600  -21.7000 #+
            27  C1y C    26.6700  -21.0000
            28  C1x C    27.8600  -23.1700
            29  C8y C    25.4800  -21.7000
            30  C1x C    28.8400  -20.0900
            31  C1x C    26.6700  -23.8000
            32  C8y C    25.4800  -23.1000
            33  C8x C    24.2900  -21.0700
            34  C8x C    27.5800  -18.6200
            35  C8x C    24.2900  -23.8000
            36  C8y C    23.1000  -21.7000
            37  C8y C    28.8400  -19.3200
            38  C8x C    27.5800  -17.2200
            39  C8y C    23.1000  -23.1000
            40  O2x O    21.9100  -21.0000
            41  C8x C    30.0300  -18.6200
            42  C8y C    28.7700  -16.5200
            43  O2a O    21.9100  -23.8000
            44  C8x C    30.0300  -17.1500
            45  C1a C    20.6500  -23.1700
            46  C1a C    29.7500  -20.8600
            47  X   Cl   29.3300  -23.3800 #-
BOND        51
            1    22  23 1
            2     9  11 1
            3    10  14 1
            4    20  22 1
            5    24   6 1
            6     5  25 1
            7     2   3 1
            8     2   4 2
            9     2   5 1
            10    3   6 1
            11    3   7 1
            12    4   8 1
            13    4   9 1
            14    5  10 2
            15    6  11 1
            16    6  12 1
            17    7  13 1
            18    8  14 2
            19   10  15 1
            20   13  16 2
            21   13  17 1
            22   14  18 1
            23   16  19 1
            24   17  20 2
            25   18  21 1
            26   19  22 2
            27   26  27 1
            28   26  28 1
            29   27  29 1
            30   27  30 1
            31   28  31 1
            32   29  32 2
            33   29  33 1
            34   32  35 1
            35   33  36 2
            36   34  37 2
            37   34  38 1
            38   35  39 2
            39   36  40 1
            40   37  41 1
            41   38  42 2
            42   39  43 1
            43   41  44 2
            44   43  45 1
            45   31  32 1
            46   36  39 1
            47   42  44 1
            48   26  46 1
            49   25  42 1
            50   20  40 1
            51   37  30 1

» Japanese version   » Back

DBGET integrated database retrieval system