KEGG   DRUG: D08495Help
Entry
D08495                      Drug                                   

Name
Roxatidine acetate (BAN)
Formula
C19H28N2O4
Exact mass
348.2049
Mol weight
348.4366
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Histamine, H2-receptor antagonist
Remark
ATC code: 
Drug group: 
Target
H2-receptor antagonist [HSA:3274] [KO:K04150]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04971  Gastric acid secretion  
 
Interaction
Drug interaction
Structure map
Histamine H2/H3 receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A02 DRUGS FOR ACID RELATED DISORDERS
   A02B DRUGS FOR PEPTIC ULCER AND GASTRO-OESOPHAGEAL REFLUX DISEASE (GORD)
    A02BA H2-receptor antagonists
     A02BA06 Roxatidine
      D08495  Roxatidine acetate (BAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H2-receptor
     Roxatidine
      D08495  Roxatidine acetate (BAN)
BRITE hierarchy
Other DBs
CAS: 
78628-28-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   N1b N    27.5100  -23.3100
            2   C8x C    18.9700  -21.2100
            3   C8y C    18.9700  -22.6100
            4   C8x C    20.2300  -23.3100
            5   C8y C    21.4200  -22.6100
            6   C8x C    21.4200  -21.2100
            7   C8x C    20.2300  -20.5100
            8   O2a O    22.6800  -23.3100
            9   C1b C    23.8700  -22.6100
            10  C1b C    25.0600  -23.3100
            11  C1b C    26.2500  -22.6100
            12  C1b C    17.7800  -23.3100
            13  N1y N    16.5900  -22.6100
            14  C1x C    16.5900  -21.2100
            15  C1x C    15.4000  -20.5100
            16  C1x C    14.1400  -21.2100
            17  C1x C    14.1400  -22.6100
            18  C1x C    15.3300  -23.3100
            19  C5a C    28.7000  -22.6100
            20  C1b C    29.8900  -23.2400
            21  O5a O    28.7000  -21.2100
            22  O7a O    31.1500  -22.5400
            23  C7a C    32.3400  -23.1700
            24  C1a C    33.5300  -22.4700
            25  O6a O    32.3400  -24.6400
BOND        26
            1     6   7 2
            2     7   2 1
            3    13  18 1
            4    14  15 1
            5    15  16 1
            6    16  17 1
            7    17  18 1
            8     8   9 1
            9     9  10 1
            10    2   3 2
            11   10  11 1
            12   11   1 1
            13    8   5 1
            14    3   4 1
            15    3  12 1
            16    4   5 2
            17   12  13 1
            18   13  14 1
            19    5   6 1
            20    1  19 1
            21   19  20 1
            22   19  21 2
            23   20  22 1
            24   22  23 1
            25   23  24 1
            26   23  25 2

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