KEGG   DRUG: Clemastine fumarate
Entry
D00666                      Drug                                   

Name
Clemastine fumarate (JP17/USP);
Tavist (TN)
Product
  Generic
Formula
C21H26ClNO. C4H4O4
Exact mass
459.1813
Mol weight
459.9624
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 4419
ATC code: D04AA14 R06AA04
Chemical structure group: DG00387
Product (DG00387): D00666<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
  Disease
Allergic rhinitis [DS:H01360]
Comment
Diphenhydramine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Structure map
map07212  Histamine H1 receptor antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA14 Clemastine
      D00666  Clemastine fumarate (JP17/USP) <JP/US>
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA04 Clemastine
      D00666  Clemastine fumarate (JP17/USP) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Histamine (H1) Receptor Antagonists, Sedating
    Clemastine
     D00666  Clemastine fumarate (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   441  Antihistamines
    4419  Others
     D00666  Clemastine fumarate (JP17/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for nervous and sensory systems
  01 Cold remedy (oral use)
   D00666  Clemastine fumarate (JP17/USP)
 Agents for otolaryngologic use
  69 Oral medicine for nasal inflammation
   D00666  Clemastine fumarate (JP17/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Clemastine
    D00666  Clemastine fumarate (JP17/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D00666  Clemastine fumarate (JP17/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00666  Clemastine fumarate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00666
Rx-to-OTC switch list in the USA [br08315.html]
 D00666
Other DBs
CAS: 14976-57-9
PubChem: 7847732
ChEBI: 3739
ChEMBL: CHEMBL1200795
DrugBank: DB00283
LigandBox: D00666
NIKKAJI: J240.218A
LinkDB
KCF data

ATOM        32
            1   C2b C    29.0912  -14.7933
            2   C2b C    30.2988  -14.0933
            3   C6a C    27.8838  -14.0992
            4   C6a C    31.5181  -14.7876
            5   O6a O    26.6703  -14.7993
            6   O6a O    27.8721  -12.6991
            7   O6a O    32.7256  -14.0875
            8   O6a O    31.5064  -16.1877
            9   C1y C    23.9026  -11.9129
            10  N1y N    23.9026  -10.5120
            11  C1a C    22.6687   -9.7996
            12  C1x C    25.2349  -12.3458
            13  C1x C    26.0583  -11.2124
            14  C1x C    25.2349  -10.0792
            15  C8x C    16.6632  -14.7099
            16  C8y C    16.6632  -16.1107
            17  C8x C    17.8763  -16.8111
            18  C8x C    19.0896  -16.1107
            19  C8y C    19.0896  -14.7099
            20  C8x C    17.8763  -14.0095
            21  C1d C    20.3027  -14.0095
            22  X   Cl   15.4501  -16.8111
            23  O2a O    20.3027  -12.6087
            24  C1b C    21.5179  -11.9071
            25  C1b C    22.7151  -12.5985
            26  C8x C    21.5158  -16.1107
            27  C8y C    21.5158  -14.7099
            28  C8x C    22.7290  -16.8111
            29  C8x C    23.9421  -16.1107
            30  C8x C    23.9421  -14.7099
            31  C8x C    22.7290  -14.0095
            32  C1a C    19.0896  -13.3091
BOND        33
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     3   6 2
            6     4   7 1
            7     4   8 2
            8     9  10 1
            9    10  11 1
            10    9  12 1
            11   12  13 1
            12   13  14 1
            13   10  14 1
            14   15  16 2
            15   16  17 1
            16   17  18 2
            17   18  19 1
            18   19  20 2
            19   15  20 1
            20   19  21 1
            21   16  22 1
            22   21  23 1
            23   23  24 1
            24   24  25 1
            25   26  27 1
            26   26  28 2
            27   28  29 1
            28   29  30 2
            29   30  31 1
            30   27  31 2
            31   21  27 1 #Down
            32   21  32 1 #Up
            33    9  25 1 #Down

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