KEGG   DRUG: Rocuronium bromideHelp
Entry
D00765                      Drug                                   

Name
Rocuronium bromide (JAN/USAN/INN);
Zemuron (TN)
Product
  Generic
Formula
C32H53N2O4. Br
Exact mass
608.3189
Mol weight
609.6782
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
Therapeutic category: 1229
ATC code: M03AC09
Product: D00765<JP/US>
Efficacy
Skeletal muscle relaxant, Neuromuscular blocking agent, Muscarinic acetylcholine receptor antagonist
Comment
Quaternary ammonium compound
Target
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
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
     M03AC09 Rocuronium bromide
      D00765  Rocuronium bromide (JAN/USAN/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  12  Agents affecting peripheral nervous system
   122  Skeletal muscle relaxants
    1229  Others
     D00765  Rocuronium bromide (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D00765  Rocuronium bromide (JAN/USAN/INN) <JP/US>
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN (neuronal type)
     D00765  Rocuronium bromide (JAN/USAN/INN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00765
BRITE hierarchy
Other DBs
CAS: 119302-91-9
PubChem: 7847830
ChEBI: 8885
ChEMBL: CHEMBL1200648
DrugBank: DB00728
LigandBox: D00765
NIKKAJI: J444.080C
LinkDB All DBs
KCF data Show

ATOM        39
            1   C1y C     7.4200   -8.9600
            2   C1y C     7.4200  -10.3600
            3   C1x C     8.6324  -11.0600
            4   C1y C     9.8449  -10.3600
            5   C1z C     9.8449   -8.9600
            6   C1x C     8.6324   -8.2600
            7   C1x C    11.0573  -11.0600
            8   C1x C    12.2697  -10.3600
            9   C1y C    12.2697   -8.9600
            10  C1y C    11.0573   -8.2600
            11  C1y C    13.4822   -8.2600
            12  C1z C    13.4822   -6.8600
            13  C1x C    12.2697   -6.1600
            14  C1x C    11.0573   -6.8600
            15  C1x C    15.9070   -8.2600
            16  C1y C    15.9070   -6.8600
            17  C1y C    14.6946   -6.1600
            18  O1a O     6.2076  -11.0600
            19  N1y N     6.2076   -8.2600
            20  C1a C     9.8449   -7.5600
            21  C1a C    13.4822   -5.4600
            22  N2y N    17.1066   -6.1673 #+
            23  O7a O    14.6946   -4.4100
            24  C1x C    17.1066   -4.7673
            25  C7a C    13.4862   -3.7123
            26  C1a C    12.2927   -4.4016
            27  O6a O    13.4861   -2.3102
            28  C1x C    18.4381   -6.5999
            29  C1x C    19.2610   -5.4673
            30  C1x C    18.4381   -4.3347
            31  C1b C    17.1066   -7.5673
            32  C2b C    18.2959   -8.2540
            33  C2a C    18.2960   -9.6598
            34  C1x C     6.2076   -6.8602
            35  C1x C     4.9951   -6.1602
            36  O2x O     3.7827   -6.8602
            37  C1x C     3.7827   -8.2600
            38  C1x C     4.9951   -8.9600
            39  X   Br   16.8700   -3.0100 #-
BOND        43
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1 #Down
            22    1  19 1 #Up
            23    5  20 1 #Up
            24   12  21 1 #Up
            25   16  22 1 #Up
            26   17  23 1 #Up
            27   22  24 1
            28   23  25 1
            29   25  26 1
            30   25  27 2
            31   22  28 1
            32   28  29 1
            33   29  30 1
            34   24  30 1
            35   22  31 1
            36   31  32 1
            37   32  33 2
            38   19  34 1
            39   34  35 1
            40   35  36 1
            41   36  37 1
            42   37  38 1
            43   19  38 1

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