KEGG   DRUG: Oxmetidine mesylateHelp
Entry
D05307                      Drug                                   

Name
Oxmetidine mesylate (USAN)
Formula
C19H21N5O3S. (CH4SO3)2
Exact mass
591.1127
Mol weight
591.6781
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
Remark
Chemical group: 
Activity
Antagonist [to histamine H2 receptors]
Target
histamine receptor H2 [HSA:3274] [KO:K04150]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H2-receptor
     Oxmetidine
      D05307  Oxmetidine mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
84455-52-7
PubChem: 
LigandBox: 
KCF data Show

ATOM        38
            1   O1d O    42.3007  -16.1242
            2   S4a S    42.3007  -17.5211
            3   C1a C    40.9039  -17.5211
            4   O1d O    43.6976  -17.5211
            5   O1d O    42.3007  -18.9179
            6   N5x N    36.6100  -12.5300
            7   C8y C    36.6100  -13.9300
            8   N4x N    37.8000  -14.6300
            9   C8x C    39.0600  -13.9300
            10  C8y C    39.0600  -12.5300
            11  C8y C    37.8000  -11.8300
            12  C8y C    41.4400  -12.5300
            13  C1b C    40.2500  -11.8300
            14  C8x C    41.4400  -13.9300
            15  C8x C    42.7000  -14.6300
            16  C8y C    43.8900  -13.9300
            17  C8y C    43.8900  -12.5300
            18  O2x O    45.2200  -14.3500
            19  C1x C    46.0600  -13.2300
            20  O2x O    45.2200  -12.1100
            21  C8x C    42.7000  -11.8300
            22  N1b N    35.4200  -14.6300
            23  C1b C    34.1600  -13.9300
            24  C1b C    32.9700  -14.6300
            25  S2a S    31.7800  -13.9300
            26  C1b C    30.5200  -14.6300
            27  C8y C    29.3300  -13.9300
            28  O5x O    37.8000  -10.4300
            29  N5x N    29.3300  -12.5300
            30  C8x C    28.0000  -12.1100
            31  N4x N    27.1600  -13.2300
            32  C8y C    28.0000  -14.3500
            33  C1a C    27.5800  -15.6800
            34  O1d O    42.3007  -16.1242
            35  S4a S    42.3007  -17.5211
            36  C1a C    40.9039  -17.5211
            37  O1d O    43.6976  -17.5211
            38  O1d O    42.3007  -18.9179
BOND        39
            1     6   7 2
            2     7   8 1
            3     8   9 1
            4     9  10 2
            5    10  11 1
            6     6  11 1
            7    12  13 1
            8    10  13 1
            9    12  14 2
            10   14  15 1
            11   16  17 1
            12   16  18 1
            13   18  19 1
            14   19  20 1
            15   17  20 1
            16   15  16 2
            17   17  21 2
            18   12  21 1
            19    7  22 1
            20   22  23 1
            21   23  24 1
            22   24  25 1
            23   25  26 1
            24   26  27 1
            25   11  28 2
            26   27  29 1
            27   29  30 2
            28   30  31 1
            29   31  32 1
            30   27  32 2
            31   32  33 1
            32    1   2 2
            33    2   3 1
            34    2   4 1
            35    2   5 2
            36   34  35 2
            37   35  36 1
            38   35  37 1
            39   35  38 2
BRACKET     1    39.0600  -19.2500   39.0600  -15.6100
            1    45.1500  -15.6100   45.1500  -19.2500
            1  2
 ORIGINAL  1    1   2   3   4   5
 REPEAT    1   34  35  36  37  38

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