KEGG   DRUG: Diphenylpiperidinomethyldioxolan iodideHelp
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
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01491  Muscarinic cholinergic receptor antagonist
Efficacy
Antispasmodic
Target
  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
map07220  Cholinergic and anticholinergic drugs
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  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: 7848663
ChEBI: 31507
ChEMBL: CHEMBL2106223
LigandBox: D01600
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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