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KEGG   DRUG: Diphenhydramine citrate
Entry
D03854                      Drug                                   
Name
Diphenhydramine citrate (USP)
Formula
C17H21NO. C6H8O7
Exact mass
447.1893
Mol weight
447.48
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
ATC code: D04AA32 R06AA02
Chemical structure group: DG00390
Product (DG00390): D00300<JP> D00669<JP/US> D00520<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Component of Advil PM (TN)
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07028  Antipsychotics
map07032  Hypnotics
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
     D04AA32 Diphenhydramine
      D03854  Diphenhydramine citrate (USP)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA02 Diphenhydramine
      D03854  Diphenhydramine citrate (USP)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
     D03854  Diphenhydramine citrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D03854  Diphenhydramine citrate (USP)
Rx-to-OTC switch list in the USA [br08315.html]
 D03854
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
Other DBs
CAS: 88637-37-0
PubChem: 17397939
LigandBox: D03854
NIKKAJI: J349.769K
KCF data

ATOM        32
            1   C1d C    36.2422  -15.4018
            2   C1b C    35.0410  -16.0923
            3   C1b C    37.4434  -16.0864
            4   C6a C    36.9267  -14.1946
            5   O1a O    35.5399  -14.1946
            6   C6a C    33.8455  -15.4075
            7   C6a C    37.4317  -17.4735
            8   O6a O    36.2248  -12.9878
            9   O6a O    38.3196  -14.1946
            10  O6a O    32.6444  -16.1040
            11  O6a O    33.9027  -14.0206
            12  O6a O    38.6332  -18.1697
            13  O6a O    36.2248  -18.1638
            14  C1c C    24.5247  -16.5156
            15  C8y C    23.3139  -17.2199
            16  C8y C    25.7415  -17.2199
            17  O2a O    24.5306  -15.1184
            18  C8x C    23.3139  -18.6230
            19  C8x C    22.1030  -16.5156
            20  C8x C    25.7358  -18.6230
            21  C8x C    26.9465  -16.5156
            22  C1b C    25.7415  -14.4140
            23  C8x C    22.1030  -19.3156
            24  C8x C    20.8862  -17.2199
            25  C8x C    26.9465  -19.3156
            26  C8x C    28.1632  -17.2199
            27  C8x C    20.8862  -18.6230
            28  C8x C    28.1573  -18.6230
            29  C1b C    26.9774  -15.1250
            30  N1c N    28.1739  -14.4316
            31  C1a C    29.3632  -15.1157
            32  C1a C    28.1717  -13.0227
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12    7  13 2
            13   18  23 2
            14   19  24 1
            15   20  25 1
            16   21  26 2
            17   23  27 1
            18   25  28 2
            19   24  27 2
            20   26  28 1
            21   14  15 1
            22   14  16 1
            23   14  17 1
            24   15  18 1
            25   15  19 2
            26   16  20 2
            27   16  21 1
            28   17  22 1
            29   22  29 1
            30   29  30 1
            31   30  31 1
            32   30  32 1

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Ontology (4)   
   KEGG BRITE (4)   
Pathway (3)   
   KEGG PATHWAY (3)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (14)   

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