KEGG   DRUG: Ambenonium chlorideHelp
Entry
D01001                      Drug                                   

Name
Ambenonium chloride (JP17/INN);
Mytelase (TN)
Formula
C28H42Cl2N4O2. 2Cl
Exact mass
606.2062
Mol weight
608.4707
Structure
Mol fileKCF fileDB search
Simcomp 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
Drug 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
BRITE hierarchy
Other DBs
CAS: 115-79-7
PubChem: 7848064
ChEBI: 2628
ChEMBL: CHEMBL1200541
DrugBank: DB01122
LigandBox: D01001
NIKKAJI: J259.352A
LinkDB All DBs
KCF data Show

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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