KEGG   DRUG: Tiemonium iodide
Entry
D01201                      Drug                                   
Name
Tiemonium iodide (JAN/INN);
Visceralgine (TN)
Formula
C18H24NO2S. I
Exact mass
445.0572
Mol weight
445.3581
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Remark
ATC code: A03AB17
Chemical structure group: DG01254
Efficacy
Antispasmodic, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
Interaction
Structure map
map07220  Cholinergic and anticholinergic drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AB Synthetic anticholinergics, quaternary ammonium compounds
     A03AB17 Tiemonium iodide
      D01201  Tiemonium iodide (JAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01254  Tiemonium
    D01201  Tiemonium iodide
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D01201  Tiemonium iodide (JAN/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01254  Tiemonium
Other DBs
CAS: 144-12-7
PubChem: 7848264
ChEBI: 32224
LigandBox: D01201
NIKKAJI: J482.718J
LinkDB
KCF data

ATOM        23
            1   S2x S    25.7926  -22.2267
            2   C8x C    26.9583  -23.0496
            3   C8x C    26.4783  -24.3525
            4   C8x C    25.1068  -24.3525
            5   C8y C    24.6954  -23.0496
            6   C1b C    22.2953  -23.0496
            7   C1b C    21.1295  -22.3638
            8   N2y N    19.9637  -23.0496 #+
            9   C1x C    19.9637  -24.4211
            10  C1x C    18.7980  -25.0382
            11  O2x O    17.5636  -24.4211
            12  C1x C    17.5636  -23.0496
            13  C1x C    18.7980  -22.3638
            14  C1d C    23.5296  -22.3638
            15  C8y C    23.5296  -20.9923
            16  C8x C    22.2953  -20.3066
            17  C8x C    22.2953  -18.9351
            18  C8x C    23.5296  -18.2494
            19  C8x C    24.6954  -18.9351
            20  C8x C    24.6954  -20.3066
            21  C1a C    19.9637  -21.6781
            22  O1a O    25.2659  -21.4038
            23  X   I    21.3352  -24.1468 #-
BOND        24
            1     9  10 1
            2    10  11 1
            3    11  12 1
            4    12  13 1
            5    13   8 1
            6     6  14 1
            7    14   5 1
            8     6   7 1
            9    14  15 1
            10    7   8 1
            11    1   2 1
            12    3   4 1
            13    4   5 2
            14   15  16 2
            15   16  17 1
            16   17  18 2
            17   18  19 1
            18   19  20 2
            19   20  15 1
            20    5   1 1
            21    2   3 2
            22    8  21 1
            23    8   9 1
            24   14  22 1

» Japanese version   » Back

KEGG   DRUG: Tiemonium methylsulfate
Entry
D08595                      Drug                                   
Name
Tiemonium methylsulfate;
Visceralgine (TN)
Formula
C18H24NO2S. CH3SO4
Exact mass
429.128
Mol weight
429.5508
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Remark
Chemical structure group: DG01254
Efficacy
Antispasmodic, Muscarinic acetylcholine receptor antagonist
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion
Interaction
Structure map
map07220  Cholinergic and anticholinergic drugs
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01254  Tiemonium
    D08595  Tiemonium methylsulfate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D08595  Tiemonium methylsulfate
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG01491  Muscarinic cholinergic receptor antagonist
   DG01254  Tiemonium
Other DBs
CAS: 6504-57-0
PubChem: 96025279
LigandBox: D08595
NIKKAJI: J369.041E
LinkDB
KCF data

ATOM        28
            1   S4a S    29.5119  -18.6979
            2   O1d O    29.5119  -17.3025
            3   O1d O    29.5119  -20.0932
            4   O1d O    28.1166  -18.6979 #-
            5   O2a O    30.9073  -18.6979
            6   C1a C    31.6050  -19.9062
            7   S2x S    24.8500  -18.5500
            8   C8x C    26.0400  -19.3200
            9   C8x C    25.5500  -20.6500
            10  C8x C    24.2200  -20.6500
            11  C8y C    23.8000  -19.3200
            12  C1b C    21.4200  -19.3200
            13  C1b C    20.2300  -18.6200
            14  N2y N    19.0400  -19.3200 #+
            15  C1x C    19.0400  -20.7200
            16  C1x C    17.9200  -21.3500
            17  O2x O    16.6600  -20.7200
            18  C1x C    16.6600  -19.3200
            19  C1x C    17.9200  -18.6200
            20  C1d C    22.6100  -18.6200
            21  C8y C    22.6100  -17.2900
            22  C8x C    21.4200  -16.5900
            23  C8x C    21.4200  -15.2600
            24  C8x C    22.6100  -14.5600
            25  C8x C    23.8000  -15.2600
            26  C8x C    23.8000  -16.5900
            27  C1a C    19.0400  -17.9900
            28  O1a O    24.3600  -17.7100
BOND        29
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     5   6 1
            6    15  16 1
            7    16  17 1
            8    17  18 1
            9    18  19 1
            10   19  14 1
            11   12  20 1
            12   20  11 1
            13   12  13 1
            14   20  21 1
            15   13  14 1
            16    7   8 1
            17    9  10 1
            18   10  11 2
            19   21  22 2
            20   22  23 1
            21   23  24 2
            22   24  25 1
            23   25  26 2
            24   26  21 1
            25   11   7 1
            26    8   9 2
            27   14  27 1
            28   14  15 1
            29   20  28 1

» Japanese version   » Back

DBGET integrated database retrieval system