KEGG   DRUG: Emedastine difumarateHelp
Entry
D02249                      Drug                                   

Name
Emedastine difumarate (JP17/USP);
Daren (TN);
Emadine (TN)
Product
Formula
C17H26N4O. (C4H4O4)2
Exact mass
534.2326
Mol weight
534.5589
Structure
Mol fileKCF fileDB search
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Therapeutic category: 4490
ATC code: S01GX06
Chemical structure group: DG01144
Product (DG01144): D02249<JP/US>
Efficacy
Antiallergic, Antiasthmatic, H1 receptor antagonist
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04750  Inflammatory mediator regulation of TRP channels
Interaction
Drug interaction
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GX Other antiallergics
     S01GX06 Emedastine
      D02249  Emedastine difumarate (JP17/USP) <JP/US>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-allergy Agents
   Antihistamine
    Emedastine
     D02249  Emedastine difumarate (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   449  Miscellaneous
    4490  Miscellaneous
     D02249  Emedastine difumarate (JP17/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Allergic agents
  52 Antihistamine based drugs
   D02249  Emedastine difumarate (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Emedastine
    D02249  Emedastine difumarate (JP17/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D02249  Emedastine difumarate (JP17/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D02249  Emedastine difumarate
  D02249  Emedastine difumarate extended-release capsules
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D02249
Rx-to-OTC switch list in Japan [br08314.html]
 D02249
BRITE hierarchy
Other DBs
CAS: 87233-62-3
PubChem: 7849308
ChEBI: 59865
ChEMBL: CHEMBL2103739
DrugBank: DB01084
LigandBox: D02249
NIKKAJI: J253.817B
LinkDB All DBs
KCF data Show

ATOM        38
            1   C6a C    34.8376  -14.8105
            2   C2b C    36.0495  -15.5131
            3   O6a O    33.6257  -15.5131
            4   O6a O    34.8376  -13.4113
            5   C2b C    37.2671  -14.8105
            6   C6a C    38.4790  -15.5131
            7   O6a O    39.6908  -14.8105
            8   O6a O    38.4790  -16.9123
            9   C1x C    27.8534  -16.8794
            10  C1x C    27.0113  -15.7698
            11  C1x C    27.3465  -14.4130
            12  N1y N    28.6075  -13.8349
            13  N1y N    29.2592  -16.9046
            14  C1x C    29.8611  -14.4572
            15  C1x C    30.1476  -15.8259
            16  C1a C    29.9373  -18.1294
            17  C8y C    28.6292  -12.4600
            18  N4y N    29.7752  -11.6547
            19  C8y C    29.3635  -10.3160
            20  C8y C    27.9630  -10.2939
            21  N5x N    27.5093  -11.6189
            22  C8x C    30.0825   -9.1147
            23  C8x C    29.4018   -7.8214
            24  C8x C    28.0013   -7.8693
            25  C8x C    27.2823   -9.0705
            26  C1b C    31.1752  -11.6547
            27  C1b C    31.8841  -10.4279
            28  O2a O    33.2500  -10.4285
            29  C1b C    33.9499   -9.2175
            30  C1a C    35.3498   -9.2181
            31  C6a C    34.8376  -14.8105
            32  C2b C    36.0495  -15.5131
            33  C2b C    37.2671  -14.8105
            34  C6a C    38.4790  -15.5131
            35  O6a O    39.6908  -14.8105
            36  O6a O    38.4790  -16.9123
            37  O6a O    33.6257  -15.5131
            38  O6a O    34.8376  -13.4113
BOND        38
            1    11  12 1
            2     9  13 1
            3    12  14 1
            4    10  11 1
            5    13  15 1
            6     9  10 1
            7    14  15 1
            8    13  16 1
            9    12  17 1
            10   17  18 1
            11   18  19 1
            12   19  20 1
            13   20  21 1
            14   17  21 2
            15   19  22 2
            16   22  23 1
            17   23  24 2
            18   24  25 1
            19   20  25 2
            20   18  26 1
            21   26  27 1
            22   27  28 1
            23   28  29 1
            24   29  30 1
            25    1   2 1
            26    1   3 1
            27    1   4 2
            28    2   5 2
            29    5   6 1
            30    6   7 1
            31    6   8 2
            32   31  32 1
            33   31  37 1
            34   31  38 2
            35   32  33 2
            36   33  34 1
            37   34  35 1
            38   34  36 2
BRACKET     1    32.2000  -17.4300   32.2000  -12.7400
            1    40.8800  -12.7400   40.8800  -17.4300
            1  2
 ORIGINAL  1    1   2   5   6   7   8   3   4
 REPEAT    1   31  32  33  34  35  36  37  38

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