KEGG   DRUG: D09705Help
Entry
D09705                      Drug                                   

Name
Bepotastine (USAN/INN)
Formula
C21H25ClN2O3
Exact mass
388.1554
Mol weight
388.8878
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Treatment of ocular itching, Antihistaminic
Comment
second-generation antihistamine drug
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-allergy Agents
   Bepotastine
    D09705  Bepotastine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Bepotastine
      D09705  Bepotastine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
125602-71-3
PubChem: 
LigandBox: 
KCF data Show

ATOM        27
            1   C1c C    21.4577  -23.2474
            2   C8y C    20.1907  -23.9513
            3   C8y C    22.6543  -23.9513
            4   O2a O    21.4577  -21.8396
            5   C8x C    20.1907  -25.3591
            6   C8x C    18.9941  -23.1770
            7   C1y C    22.7247  -21.1357
            8   C8x C    18.9237  -26.0630
            9   C8x C    17.7975  -23.8809
            10  C8y C    17.7975  -25.2887
            11  X   Cl   16.5305  -25.9926
            12  C1x C    23.8510  -21.8396
            13  C1x C    25.1180  -21.1357
            14  N1y N    25.1180  -19.7984
            15  C1x C    23.9214  -19.0945
            16  C1x C    22.7247  -19.7984
            17  C1b C    26.3146  -19.0945
            18  C1b C    27.5112  -19.7280
            19  C1b C    28.7782  -19.0241
            20  C6a C    29.9748  -19.7280
            21  O6a O    31.1714  -19.0241
            22  O6a O    29.9748  -21.1357
            23  C8x C    22.6543  -25.4295
            24  C8x C    23.7806  -26.1334
            25  C8x C    25.0476  -25.4295
            26  C8x C    25.0476  -24.0217
            27  N5x N    23.8510  -23.3178
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 2
            9     8  10 2
            10   10  11 1
            11    9  10 1
            12    7  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16   7 1
            18   14  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   20  22 2
            24    3  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29    3  27 1

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