KEGG   DRUG: D02417Help
Entry
D02417                      Drug                                   

Name
Flutropium bromide (JAN);
Flutropium bromide monohydrate;
Flubron (TN)
Formula
C24H29FNO3. Br. H2O
Exact mass
495.142
Mol weight
496.4096
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator [DS:H00079]
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 [HSA:1128 1129 1131 1132 1133] [KO:K04129 K04130 K04131 K04132 K04133]
     Flutropium
      D02417  Flutropium bromide (JAN)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        31
            1   O0  O    34.0872  -14.6179
            2   C1x C    21.0238  -16.4308
            3   C1x C    21.3519  -15.2591
            4   C1y C    22.1955  -16.1496
            5   C1y C    22.5236  -14.9779
            6   N2y N    21.2582  -13.6656 #+
            7   C1x C    24.0702  -16.1496
            8   C1x C    23.7890  -14.9779
            9   C1y C    25.1013  -16.7120
            10  O7a O    26.1793  -17.6025
            11  C7a C    27.3979  -17.6025
            12  C1d C    28.0072  -16.5245
            13  O6a O    28.0072  -18.7273
            14  C8y C    29.2258  -16.5245
            15  C8y C    27.3979  -15.4934
            16  C8x C    29.9320  -17.7482
            17  C8x C    31.3320  -17.7485
            18  C8x C    32.0322  -16.5362
            19  C8x C    31.3261  -15.3125
            20  C8x C    29.9261  -15.3122
            21  C1a C    20.5091  -12.4814
            22  C1b C    20.0289  -14.2783
            23  C1b C    18.8562  -13.5018
            24  X   F    17.5790  -14.1385
            25  C8x C    25.9979  -15.4934
            26  C8x C    28.0979  -14.2810
            27  C8x C    27.3979  -13.0685
            28  C8x C    25.9979  -13.0685
            29  C8x C    25.2979  -14.2810
            30  O1a O    29.2672  -14.3321
            31  X   Br   22.6100  -12.3900 #-
BOND        32
            1     2   3 1
            2     2   4 1
            3     3   5 1
            4     4   6 1
            5     4   7 1
            6     5   8 1
            7     7   9 1
            8     9  10 1 #Down
            9    10  11 1
            10   11  12 1
            11   11  13 2
            12   12  14 1
            13   12  15 1
            14    5   6 1
            15    8   9 1
            16   14  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   14  20 1
            22    6  21 1
            23    6  22 1
            24   22  23 1
            25   23  24 1
            26   15  25 1
            27   15  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   25  29 2
            32   12  30 1

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