KEGG   DRUG: D01955Help
Entry
D01955                      Drug                                   

Name
Aclatonium napadisilate (JAN);
Abovis (TN)
Formula
(C10H20NO4)2. C10H6O6S2
Exact mass
722.239
Mol weight
722.8212
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Therapeutic category: 
Target
muscarinic cholinergic receptor agonist [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion  
 
Interaction
Drug interaction
Brite
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
     D01955  Aclatonium napadisilate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Aclatonium
      D01955  Aclatonium napadisilate (JAN)
BRITE hierarchy
Other DBs
CAS: 
55077-30-0
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        48
            1   C1a C    22.9603  -17.8200
            2   C7a C    24.1631  -17.1256
            3   O7a O    25.3661  -17.8200
            4   C1c C    26.5688  -17.1256
            5   C7a C    27.7717  -17.8200
            6   O7a O    28.9744  -17.1256
            7   C1b C    30.1773  -17.8200
            8   C1b C    31.3800  -17.1256
            9   N1d N    32.5829  -17.8200 #+
            10  C1a C    34.0636  -16.9172
            11  O6a O    24.1631  -15.7366
            12  C1a C    26.5688  -15.7366
            13  O6a O    27.7717  -19.2089
            14  C1a C    31.3872  -18.5145
            15  C1a C    33.7946  -18.5145
            16  C8x C    38.2200  -16.8000
            17  C8x C    38.2200  -18.2000
            18  C8x C    39.4100  -18.9000
            19  C8y C    40.6000  -18.2000
            20  C8y C    40.6000  -16.8000
            21  C8y C    39.4100  -16.1000
            22  C8y C    41.7900  -18.9000
            23  C8x C    43.0500  -18.2000
            24  C8x C    43.0500  -16.8000
            25  C8x C    41.7900  -16.1000
            26  S4a S    39.4100  -14.7000
            27  S4a S    41.7900  -20.3000
            28  O1d O    41.7900  -21.7000 #-
            29  O1d O    43.1900  -20.3000
            30  O1d O    40.3900  -20.3000
            31  O1d O    39.4100  -13.3000 #-
            32  O1d O    38.0100  -14.7000
            33  O1d O    40.7400  -14.7000
            34  C1a C    22.9603  -17.8200
            35  C7a C    24.1631  -17.1256
            36  O7a O    25.3661  -17.8200
            37  C1c C    26.5688  -17.1256
            38  C7a C    27.7717  -17.8200
            39  O7a O    28.9744  -17.1256
            40  C1b C    30.1773  -17.8200
            41  C1b C    31.3800  -17.1256
            42  N1d N    32.5829  -17.8200 #+
            43  C1a C    34.0636  -16.9172
            44  C1a C    31.3872  -18.5145
            45  C1a C    33.7946  -18.5145
            46  O6a O    27.7717  -19.2089
            47  C1a C    26.5688  -15.7366
            48  O6a O    24.1631  -15.7366
BOND        47
            1    16  17 2
            2    17  18 1
            3    18  19 2
            4    19  20 1
            5    20  21 2
            6    16  21 1
            7    19  22 1
            8    22  23 2
            9    23  24 1
            10   24  25 2
            11   20  25 1
            12   21  26 1
            13   22  27 1
            14   27  28 1
            15   27  29 2
            16   27  30 2
            17   26  31 1
            18   26  32 2
            19   26  33 2
            20    1   2 1
            21    2   3 1
            22    3   4 1
            23    4   5 1
            24    5   6 1
            25    6   7 1
            26    7   8 1
            27    8   9 1
            28    9  10 1
            29    2  11 2
            30    4  12 1
            31    5  13 2
            32    9  14 1
            33    9  15 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   38  39 1
            39   39  40 1
            40   40  41 1
            41   41  42 1
            42   42  43 1
            43   35  48 2
            44   37  47 1
            45   38  46 2
            46   42  44 1
            47   42  45 1
BRACKET     1    21.1400  -19.9500   21.1400  -14.4200
            1    35.9100  -14.4200   35.9100  -19.9500
            1  2
 ORIGINAL  1    1   2   3   4   5   6   7   8   9  10  14  15  13  12  11
 REPEAT    1   34  35  36  37  38  39  40  41  42  43  44  45  46  47  48

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