KEGG   DRUG: Ambenonium chloride
Entry
D01001                      Drug                                   

Name
Ambenonium chloride (JP17/INN);
Mytelase (TN)
Formula
C28H42Cl2N4O2. 2Cl
Exact mass
606.2062
Mol weight
608.4707
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01595  Cholinesterase inhibitor
  DG01593  Acetylcholinesterase inhibitor
Other
 DG01719  Parasympathomimetic agent
Remark
Therapeutic category: 1231
ATC code: N07AA30
Chemical structure group: DG00990
Product (DG00990): D01001<JP>
Efficacy
Acetylcholinesterase inhibitor
Comment
Quaternary ammonium compound
Target
ACHE [HSA:43] [KO:K01049]
  Pathway
hsa00564  Glycerophospholipid metabolism
hsa04725  Cholinergic synapse
Interaction
Structure map
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07A PARASYMPATHOMIMETICS
    N07AA Anticholinesterases
     N07AA30 Ambenonium
      D01001  Ambenonium chloride (JP17/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  12  Agents affecting peripheral nervous system
   123  Autonomic nervous system agents
    1231  Quaternary ammoniums
     D01001  Ambenonium chloride (JP17/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Carboxylic-ester hydrolases
    ACHE
     D01001  Ambenonium chloride (JP17/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01001  Ambenonium chloride
Other DBs
CAS: 115-79-7
PubChem: 7848064
ChEBI: 2628
ChEMBL: CHEMBL1200541
DrugBank: DB01122
LigandBox: D01001
NIKKAJI: J259.352A
KCF data

ATOM        38
            1   X   Cl   27.0752  -15.2685 #-
            2   X   Cl   19.4424  -20.2555 #-
            3   N1d N    18.0129  -18.3284 #+
            4   C1b C    16.8053  -17.6283
            5   C1b C    19.2205  -17.6342
            6   C1b C    18.0129  -19.7226
            7   C1b C    17.9838  -16.9225
            8   C8y C    15.5977  -18.3284
            9   C1b C    20.4280  -18.3284
            10  C1a C    16.8053  -20.4226
            11  C1a C    19.1798  -16.1991
            12  C8y C    14.3901  -17.6283
            13  C8x C    15.5977  -19.7226
            14  N1b N    21.6414  -17.6342
            15  C8x C    13.1768  -18.3284
            16  X   Cl   14.3901  -16.2341
            17  C8x C    14.3901  -20.4226
            18  C5a C    22.8490  -18.3341
            19  C8x C    13.1768  -19.7226
            20  C5a C    24.0566  -17.6342
            21  O5a O    22.8490  -19.7285
            22  N1b N    25.2642  -18.3341
            23  O5a O    24.0566  -16.2398
            24  C1b C    26.4777  -17.6400
            25  C1b C    27.6853  -18.3341
            26  N1d N    28.8927  -17.6400 #+
            27  C1b C    30.1003  -18.3400
            28  C1b C    28.8927  -16.2458
            29  C1b C    28.9220  -19.1159
            30  C8y C    31.3079  -17.6400
            31  C1a C    30.1003  -15.5457
            32  C1a C    27.6560  -19.8801
            33  C8y C    32.5098  -18.3458
            34  C8x C    31.3022  -16.2515
            35  C8x C    33.7174  -17.6459
            36  X   Cl   32.5038  -19.7402
            37  C8x C    32.5098  -15.5515
            38  C8x C    33.7174  -16.2515
BOND        37
            1     3   4 1
            2     3   5 1
            3     3   6 1
            4     3   7 1
            5     4   8 1
            6     5   9 1
            7     6  10 1
            8     7  11 1
            9     8  12 2
            10    8  13 1
            11    9  14 1
            12   12  15 1
            13   12  16 1
            14   13  17 2
            15   14  18 1
            16   15  19 2
            17   18  20 1
            18   18  21 2
            19   20  22 1
            20   20  23 2
            21   22  24 1
            22   24  25 1
            23   25  26 1
            24   26  27 1
            25   26  28 1
            26   26  29 1
            27   27  30 1
            28   28  31 1
            29   29  32 1
            30   30  33 2
            31   30  34 1
            32   33  35 1
            33   33  36 1
            34   34  37 2
            35   35  38 2
            36   17  19 1
            37   37  38 1

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