KEGG   DRUG: D01600Help
Entry
D01600                      Drug                                   

Name
Diphenylpiperidinomethyldioxolan iodide (JAN);
Anacolin;
Gastrophyllin-A (TN)
Formula
C22H28NO2. I
Exact mass
465.1165
Mol weight
465.3677
Structure
Mol fileKCF fileDB searchJmolKegDraw
Target
muscarinic cholinergic receptor antagonist [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
Structure map
Cholinergic and anticholinergic drugs
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Category 2
  Inorganic and organic chemicals
   Diphenylpiperidinomethyldioxolan iodide
    D01600  Diphenylpiperidinomethyldioxolan iodide (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Diphenylpiperidinomethyldioxolan
      D01600  Diphenylpiperidinomethyldioxolan iodide (JAN)
BRITE hierarchy
Other DBs
CAS: 
21216-78-4
PubChem: 
LigandBox: 
KCF data Show

ATOM        26
            1   X   I    11.7622  -25.4134 #-
            2   O2x O    14.6300  -22.0500
            3   C1y C    13.4976  -22.8732
            4   C1x C    13.9307  -24.2046
            5   O2x O    15.3307  -24.2042
            6   C1z C    15.7629  -22.8726
            7   C8y C    15.7629  -21.4726
            8   C8y C    16.9753  -23.5726
            9   C1b C    12.2976  -22.1900
            10  N2y N    11.0851  -22.8900 #+
            11  C1x C     9.8727  -22.1900
            12  C1x C     8.6603  -22.8900
            13  C1x C     8.6603  -24.2900
            14  C1x C     9.8727  -24.9900
            15  C1x C    11.0851  -24.2900
            16  C1a C    11.0851  -21.4900
            17  C8x C    16.9581  -20.7826
            18  C8x C    16.9583  -19.3826
            19  C8x C    15.7459  -18.6825
            20  C8x C    14.5506  -19.3725
            21  C8x C    14.5505  -20.7725
            22  C8x C    16.9753  -24.9726
            23  C8x C    18.1878  -25.6726
            24  C8x C    19.4002  -24.9726
            25  C8x C    19.4002  -23.5726
            26  C8x C    18.1878  -22.8726
BOND        28
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   6 1
            6     6   7 1
            7     6   8 1
            8     3   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  10 1
            16   10  16 1
            17    7  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22    7  21 1
            23    8  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28    8  26 1

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