KEGG   DRUG: Timepidium bromide hydrateHelp
Entry
D02535                      Drug                                   

Name
Timepidium bromide hydrate (JP17);
Sesden (TN)
Formula
C17H22NOS2. Br. H2O
Exact mass
417.0432
Mol weight
418.412
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
Remark
Therapeutic category: 1249
ATC code: A03AB19
Chemical structure group: DG00041
Product (DG00041): D02535<JP>
Efficacy
Antispasmodic, Muscarinic acetylcholine receptor antagonist
Comment
Quaternary ammonium compound
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04970  Salivary secretion
hsa04971  Gastric acid secretion
hsa04972  Pancreatic secretion
Interaction
Drug interaction
Structure map
map07038  Antiulcer drugs
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
     A03AB19 Timepidium bromide
      D02535  Timepidium bromide hydrate (JP17) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  12  Agents affecting peripheral nervous system
   124  Antispasmodics
    1249  Others
     D02535  Timepidium bromide hydrate (JP17)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Timepidium bromide
    D02535  Timepidium bromide hydrate (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D02535  Timepidium bromide hydrate (JP17) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02535  Timepidium bromide hydrate
Rx-to-OTC switch list in Japan [br08314.html]
 D02535
BRITE hierarchy
Other DBs
PubChem: 17396706
LigandBox: D02535
KCF data Show

ATOM        23
            1   O0  O    29.0527  -21.0950
            2   C1x C    19.2316  -23.0812
            3   C1y C    20.4413  -23.7928
            4   C1x C    21.6511  -23.0812
            5   C2y C    21.6511  -21.7292
            6   C1x C    20.4413  -21.0176
            7   N2y N    19.2316  -21.7292 #+
            8   O2a O    20.4413  -25.2160
            9   C1a C    19.2316  -25.9276
            10  C2c C    22.8608  -21.0176
            11  C8y C    24.0705  -21.6580
            12  C8y C    22.8608  -19.5944
            13  C8x C    21.7222  -18.7405
            14  C8x C    22.1492  -17.3884
            15  C8x C    23.5724  -17.4596
            16  S2x S    23.9993  -18.7405
            17  C8x C    24.5686  -23.0100
            18  C8x C    25.9206  -23.0100
            19  C8x C    26.3476  -21.6580
            20  S2x S    25.2090  -20.8753
            21  C1a C    17.9962  -21.0226
            22  C1a C    19.2316  -20.3060
            23  X   Br   19.3028  -18.0289 #-
BOND        23
            1     4   5 1
            2     5  10 2
            3     5   6 1
            4    10  11 1
            5     6   7 1
            6    10  12 1
            7     7   2 1
            8    12  13 2
            9    13  14 1
            10   14  15 2
            11   15  16 1
            12   16  12 1
            13    2   3 1
            14    3   8 1
            15    3   4 1
            16   11  17 2
            17   17  18 1
            18   18  19 2
            19   19  20 1
            20   20  11 1
            21    8   9 1
            22    7  21 1
            23    7  22 1

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