KEGG   DRUG: D01463Help
Entry
D01463                      Drug                                   

Name
Diponium bromide (JAN/INN);
Dipenine bromide
Formula
C20H38NO2. Br
Exact mass
403.2086
Mol weight
404.4252
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antispasmodics
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
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     Diponium
      D01463  Diponium bromide (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 
2001-81-2
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   X   Br   17.7800  -18.0600 #-
            2   C1x C    24.5000  -21.8400
            3   C1x C    25.9000  -21.8400
            4   C1x C    26.3200  -20.5100
            5   C1x C    25.2000  -19.6700
            6   C1y C    24.0800  -20.5100
            7   C1c C    22.8900  -19.8100
            8   C7a C    21.6300  -20.5100
            9   O7a O    20.4400  -19.8100
            10  C1b C    19.2500  -20.5100
            11  C1b C    17.9900  -19.8100
            12  N1d N    16.8000  -20.5100 #+
            13  C1b C    15.6100  -19.8100
            14  C1a C    14.3500  -20.5100
            15  O6a O    21.6300  -21.9100
            16  C1y C    22.8900  -18.4100
            17  C1x C    24.0100  -17.5700
            18  C1x C    23.5900  -16.2400
            19  C1x C    22.1900  -16.2400
            20  C1x C    21.7000  -17.5700
            21  C1b C    16.8000  -19.1100
            22  C1a C    15.5876  -18.4100
            23  C1b C    16.8000  -21.9100
            24  C1a C    15.5876  -22.6100
BOND        24
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    8  15 2
            15    7  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   16  20 1
            21   12  21 1
            22   21  22 1
            23   12  23 1
            24   23  24 1

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