KEGG   DRUG: Rocuronium bromide
Entry
D00765                      Drug                                   

Name
Rocuronium bromide (JAN/USP/INN);
Zemuron (TN)
Product
  Generic
ROCURONIUM (Piramal Critical Care), ROCURONIUM BROMIDE (Almaject), ROCURONIUM BROMIDE (Alvogen), ROCURONIUM BROMIDE (Athenex Pharmaceutical Division), ROCURONIUM BROMIDE (AuroMedics Pharma LLC), ROCURONIUM BROMIDE (Baxter Healthcare Corporation), ROCURONIUM (Fresenius Kabi USA), ROCURONIUM BROMIDE (Gland Pharma Limited), ROCURONIUM BROMIDE (HF Acquisition Co LLC), ROCURONIUM BROMIDE (HF Acquisition Co LLC), ROCURONIUM BROMIDE (Hikma Pharmaceuticals USA), ROCURONIUM BROMIDE (Hospira), ROCURONIUM BROMIDE (Hospira), ROCURONIUM BROMIDE (Medical Purchasing Solutions), ROCURONIUM BROMIDE (Medical Purchasing Solutions), ROCURONIUM BROMIDE (Medical Purchasing Solutions), ROCURONIUM BROMIDE (Mylan Institutional LLC), ROCURONIUM BROMIDE (Sagent Pharmaceuticals), ROCURONIUM BROMIDE (Sandoz), ROCURONIUM BROMIDE (Sanovel Ilac San. Ve Tic.A.S.), ROCURONIUM BROMIDE (X-GEN Pharmaceuticals)
Formula
C32H53N2O4. Br
Exact mass
608.3189
Mol weight
609.6782
Structure
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
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/USP/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/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D00765  Rocuronium bromide (JAN/USP/INN) <JP/US>
 Ion channels
  Ligand-gated ion channels
   Acetylcholine (nicotinic)
    CHRN (neuronal type)
     D00765  Rocuronium bromide (JAN/USP/INN) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D00765
Other DBs
CAS: 119302-91-9
PubChem: 7847830
ChEBI: 8885
ChEMBL: CHEMBL1200648
DrugBank: DB00728
LigandBox: D00765
NIKKAJI: J444.080C
LinkDB
KCF data

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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