KEGG   DRUG: Roxatidine acetateHelp
Entry
D08495                      Drug                                   

Name
Roxatidine acetate (BAN)
Formula
C19H28N2O4
Exact mass
348.2049
Mol weight
348.4366
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01481  Histamine receptor H2 antagonist
 DG01975  Agents for peptic ulcer
  DG01481  Histamine receptor H2 antagonist
Remark
ATC code: 
Chemical group: 
Activity
Anti-ulcerative, H2 receptor antagonist
Target
HRH2 [HSA:3274] [KO:K04150]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
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: 
ChEMBL: 
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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