KEGG   DRUG: Propantheline bromideHelp
Entry
D00481                      Drug                                   

Name
Propantheline bromide (JP17/USP/INN);
Pro-banthine (TN)
Product
  Generic
Formula
C23H30NO3. Br
Exact mass
447.1409
Mol weight
448.3932
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: 1231
ATC code: A03AB05
Chemical structure group: DG00035
Product (DG00035): D00481<JP/US>
Product (mixture): D04379<JP>
Efficacy
Antispasmodic, Muscarinic acetylcholine receptor antagonist
  Disease
Peptic ulcer [DS:H01634]
Comment
Quaternary ammonium compound
Target
  Pathway
hsa04020  Calcium signaling pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04725  Cholinergic synapse
hsa04971  Gastric acid 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
     A03AB05 Propantheline
      D00481  Propantheline bromide (JP17/USP/INN) <JP/US>
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
     D00481  Propantheline bromide (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    CHRM
     D00481  Propantheline bromide (JP17/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00481  Propantheline bromide
Drug classes of therapeutic agents [br08360.html]
 Gastrointestinal agents
  D00481
BRITE hierarchy
Other DBs
CAS: 50-34-0
PubChem: 7847547
ChEBI: 8482
ChEMBL: CHEMBL1240
DrugBank: DB00782
LigandBox: D00481
NIKKAJI: J231.455J
KCF data Show

ATOM        28
            1   X   Br   29.5355  -11.2850 #-
            2   C8x C    19.5645   -9.5721
            3   C8x C    19.5645  -10.9775
            4   C8x C    20.7816  -11.6802
            5   C8y C    21.9987  -10.9775
            6   C8y C    21.9987   -9.5721
            7   C8x C    20.7816   -8.8695
            8   O2x O    23.2157  -11.6802
            9   C8y C    24.4328  -10.9775
            10  C8y C    24.4328   -9.5721
            11  C1y C    23.2157   -8.8695
            12  C8x C    25.6499  -11.6802
            13  C8x C    26.8669  -10.9775
            14  C8x C    26.8669   -9.5721
            15  C8x C    25.6499   -8.8695
            16  C7a C    23.2157   -7.4641
            17  O7a O    24.4349   -6.7602
            18  O6a O    22.0007   -6.7626
            19  C1b C    25.6359   -7.4539
            20  C1b C    26.8273   -6.7661
            21  N1d N    28.0233   -7.4569 #+
            22  C1a C    28.0233   -8.8692
            23  C1c C    28.0233   -6.0515
            24  C1a C    29.2172   -5.3621
            25  C1c C    29.4233   -7.4569
            26  C1a C    26.7796   -5.3340
            27  C1a C    30.1320   -8.6834
            28  C1a C    30.1029   -6.2792
BOND        29
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     5   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    6  11 1
            12    9  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   10  15 2
            17   11  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   21  23 1
            25   23  24 1
            26   21  25 1
            27   23  26 1
            28   25  27 1
            29   25  28 1

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