KEGG   DRUG: Pipecuronium bromideHelp
Entry
D00764                      Drug                                   

Name
Pipecuronium bromide (JAN/USAN/INN);
Arduan (TN)
Formula
C35H62N4O4. 2Br
Exact mass
760.3138
Mol weight
762.6992
Structure
Mol fileKCF fileDB search
Simcomp 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: M03AC06
Efficacy
Neuromuscular blocking agent
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug 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
     M03AC06 Pipecuronium bromide
      D00764  Pipecuronium bromide (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN (neuronal type)
     D00764  Pipecuronium bromide (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 52212-02-9
PubChem: 7847829
ChEBI: 8231
ChEMBL: CHEMBL1200722
LigandBox: D00764
NIKKAJI: J281.027A
LinkDB All DBs
KCF data Show

ATOM        45
            1   C1y C    26.3513  -19.6618
            2   C1y C    25.1118  -20.3392
            3   C1z C    26.2988  -18.3126
            4   C1x C    28.6265  -19.6906
            5   C1y C    23.9479  -19.6444
            6   C1x C    25.1118  -21.6941
            7   C1y C    27.4799  -17.6525
            8   C1x C    25.1347  -17.6236
            9   C1a C    26.3277  -17.0214
            10  C1y C    28.6438  -18.3416
            11  C1z C    22.6971  -20.3219
            12  C1x C    23.9594  -18.2953
            13  C1x C    23.9363  -22.3658
            14  O7a O    27.5610  -16.0022
            15  N1y N    29.8251  -17.6757
            16  C1y C    22.6909  -21.6885
            17  C1x C    21.5912  -19.6386
            18  C1a C    22.6150  -19.0133
            19  C7a C    26.3913  -15.3016
            20  C1x C    30.9889  -18.3705
            21  C1x C    29.8365  -16.3266
            22  C1x C    21.5912  -22.3600
            23  C1y C    20.4216  -20.3219
            24  C1a C    25.2101  -15.9733
            25  O6a O    26.4087  -13.9467
            26  C1x C    32.1759  -17.7104
            27  C1x C    31.0178  -15.6549
            28  C1y C    20.4216  -21.6885
            29  N1y N    19.1013  -19.4359
            30  N2y N    32.1932  -16.3555 #+
            31  O7a O    19.2403  -22.3600
            32  C1x C    19.1072  -18.0867
            33  C1x C    17.9258  -20.1249
            34  C7a C    19.2403  -23.7151
            35  C1x C    17.9258  -17.4093
            36  C1x C    16.7504  -19.4417
            37  C1a C    18.0592  -24.3983
            38  O6a O    20.4216  -24.3983
            39  N2y N    16.7563  -18.0867 #+
            40  C1a C    15.5458  -17.3855
            41  C1a C    15.5523  -18.7818
            42  C1a C    33.6164  -15.6757
            43  C1a C    33.6058  -17.0506
            44  X   Br   16.6600  -15.6100 #-
            45  X   Br   32.2700  -19.4600 #-
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1 #Up
            14   10  15 1 #Up
            15   11  16 1
            16   11  17 1
            17   11  18 1 #Up
            18   14  19 1
            19   15  20 1
            20   15  21 1
            21   16  22 1
            22   17  23 1
            23   19  24 1
            24   19  25 2
            25   20  26 1
            26   21  27 1
            27   22  28 1
            28   23  29 1 #Up
            29   26  30 1
            30   28  31 1 #Down
            31   29  32 1
            32   29  33 1
            33   31  34 1
            34   32  35 1
            35   33  36 1
            36   34  37 1
            37   34  38 2
            38   35  39 1
            39    7  10 1
            40    8  12 1
            41   13  16 1
            42   23  28 1
            43   27  30 1
            44   36  39 1
            45   39  40 1
            46   39  41 1
            47   30  42 1
            48   30  43 1

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