KEGG   DRUG: D08497Help
Entry
D08497                      Drug                                   

Name
Rupatadine fumarate;
Rinialer (TN)
Formula
C26H26ClN3. C4H4O4
Exact mass
531.1925
Mol weight
532.0299
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihistaminic
Remark
ATC code: 
Drug group: 
Target
H1-receptor antagonist [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AX Other antihistamines for systemic use
     R06AX28 Rupatadine
      D08497  Rupatadine fumarate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    H1-receptor
     Rupatadine
      D08497  Rupatadine fumarate
BRITE hierarchy
Other DBs
CAS: 
182349-12-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        38
            1   O6a O    22.1892  -18.0970
            2   C6a C    23.3993  -17.3984
            3   C2b C    24.6095  -18.0970
            4   C2b C    25.8197  -17.3984
            5   C6a C    27.0298  -18.0970
            6   O6a O    28.2401  -17.3984
            7   O6a O    27.0298  -19.4943
            8   O6a O    23.3993  -16.0011
            9   C8y C    13.0288  -19.5110
            10  C2y C    14.2955  -18.9208
            11  C8y C    15.5547  -19.5374
            12  C8y C    15.8539  -20.8966
            13  C8y C    12.7056  -20.8840
            14  C1x C    14.9777  -21.9938
            15  C1x C    13.5747  -21.9841
            16  C8x C    17.1899  -21.3201
            17  C8x C    18.2248  -20.3748
            18  C8x C    17.9255  -19.0156
            19  N5x N    16.5895  -18.5921
            20  C8x C    12.0078  -18.5508
            21  C8x C    10.6657  -18.9550
            22  C8y C    10.3426  -20.3280
            23  C8x C    11.3636  -21.2882
            24  X   Cl    9.0272  -20.7244
            25  C2y C    14.3090  -17.5256
            26  C1x C    15.5197  -16.8420
            27  C1x C    15.5331  -15.4405
            28  N1y N    14.3262  -14.7281
            29  C1x C    13.1155  -15.4117
            30  C1x C    13.1020  -16.8131
            31  C1b C    14.3398  -13.3215
            32  C8y C    15.4735  -12.5605
            33  C8x C    16.7209  -13.2154
            34  C8y C    17.8356  -12.4666
            35  C8x C    17.8495  -11.0661
            36  N5x N    16.6020  -10.4112
            37  C8x C    15.4873  -11.1600
            38  C1a C    19.1618  -13.1669
BOND        41
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     5   7 2
            7     2   8 2
            8    11  12 1
            9     9  13 1
            10   12  14 1
            11   10  11 1
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   12  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   11  19 2
            20    9  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   13  23 2
            25   22  24 1
            26   10  25 2
            27   25  26 1
            28   26  27 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   25  30 1
            33   28  31 1
            34   31  32 1
            35   32  33 2
            36   33  34 1
            37   34  35 2
            38   35  36 1
            39   36  37 2
            40   32  37 1
            41   34  38 1

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