KEGG   DRUG: Diphenhydramine
Entry
D00300                      Drug                                   
Name
Diphenhydramine (JP18/INN);
Restamin (TN)
Formula
C17H21NO
Exact mass
255.1623
Mol weight
255.3547
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C06960
Therapeutic category: 2642
ATC code: D04AA32 R06AA02
Chemical structure group: DG00390
Product (DG00390): D00300<JP> D00669<JP/US> D03360<JP> D00520<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Diphenhydramine derivative
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
      D00300  Diphenhydramine (JP18/INN) <JP>
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA02 Diphenhydramine
      D00300  Diphenhydramine (JP18/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   264  Analgesics, anti-itchings, astringents, anti-inflammatory agents
    2642  Antihistamines for external use
     D00300  Diphenhydramine (JP18/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D00300  Diphenhydramine (JP18/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D00300  Diphenhydramine (JP18/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D00300  Diphenhydramine (JP18/INN)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D00300  Diphenhydramine (JP18/INN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
     D00300  Diphenhydramine
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D00300  Diphenhydramine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D00300  Diphenhydramine (JP18/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00300  Diphenhydramine
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
Other DBs
CAS: 58-73-1
PubChem: 7847366
ChEBI: 4636
PDB-CCD: 2PM[PDBj]
LigandBox: D00300
NIKKAJI: J1.390K
LinkDB
KCF data

ATOM        19
            1   C1c C    30.1190  -16.7924
            2   C8y C    28.9084  -17.4966
            3   C8y C    31.3355  -17.4966
            4   O2a O    30.1249  -15.3955
            5   C8x C    28.9084  -18.8994
            6   C8x C    27.6977  -16.7924
            7   C8x C    31.3298  -18.8994
            8   C8x C    32.5403  -16.7924
            9   C1b C    31.3355  -14.6912
            10  C8x C    27.6977  -19.5919
            11  C8x C    26.4812  -17.4966
            12  C8x C    32.5403  -19.5919
            13  C8x C    33.7568  -17.4966
            14  C8x C    26.4812  -18.8994
            15  C8x C    33.7509  -18.8994
            16  C1b C    32.5712  -15.4021
            17  N1c N    33.7675  -14.7088
            18  C1a C    34.9566  -15.3928
            19  C1a C    33.7653  -13.3002
BOND        20
            1     5  10 2
            2     6  11 1
            3     7  12 1
            4     8  13 2
            5    10  14 1
            6    12  15 2
            7    11  14 2
            8    13  15 1
            9     1   2 1
            10    1   3 1
            11    1   4 1
            12    2   5 1
            13    2   6 2
            14    3   7 2
            15    3   8 1
            16    4   9 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1

» Japanese version   » Back

KEGG   DRUG: Diphenhydramine hydrochloride
Entry
D00669                      Drug                                   
Name
Diphenhydramine hydrochloride (JP18/USP);
Benadryl (TN)
Product
  Generic
DIPHENHYDRAMINE (Fresenius Kabi USA), DIPHENHYDRAMINE (Fresenius Kabi USA), DIPHENHYDRAMINE (Micro Labs Limited), DIPHENHYDRAMINE HYDROCHLORIDE (A-S Medication Solutions), DIPHENHYDRAMINE HYDROCHLORIDE (Armas Pharmaceuticals), DIPHENHYDRAMINE HYDROCHLORIDE (Cardinal Health 107), DIPHENHYDRAMINE HYDROCHLORIDE (Cardinal Health 107), DIPHENHYDRAMINE HYDROCHLORIDE (Fresenius Kabi USA), DIPHENHYDRAMINE HYDROCHLORIDE (General Injectables & Vaccines), DIPHENHYDRAMINE HYDROCHLORIDE (HF Acquisition Co LLC), DIPHENHYDRAMINE HYDROCHLORIDE (HF Acquisition Co LLC), DIPHENHYDRAMINE HYDROCHLORIDE (HF Acquisition Co. LLC), DIPHENHYDRAMINE HYDROCHLORIDE (Henry Schein), DIPHENHYDRAMINE HYDROCHLORIDE (Hikma Pharmaceuticals USA), DIPHENHYDRAMINE HYDROCHLORIDE (Medical Purchasing Solutions), DIPHENHYDRAMINE HYDROCHLORIDE (Medical Purchasing Solutions), DIPHENHYDRAMINE HYDROCHLORIDE (Medical Purchasing Solutions), DIPHENHYDRAMINE HYDROCHLORIDE (Mylan Institutional LLC), DIPHENHYDRAMINE HYDROCHLORIDE (Pharmaceutical Associates), DIPHENHYDRAMINE HYDROCHLORIDE (REMEDYREPACK), DIPHENHYDRAMINE HYDROCHLORIDE (REMEDYREPACK)
Formula
C17H21NO. HCl
Exact mass
291.139
Mol weight
291.8157
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C07784
Therapeutic category: 4411
ATC code: D04AA32 R06AA02
Chemical structure group: DG00390
Product (DG00390): D00300<JP> D00669<JP/US> D03360<JP> D00520<JP/US>
Product (mixture): D04259<JP> D04806<JP> D08769<JP>
Efficacy
Antiallergic, H1 receptor antagonist
  Disease
Parkinsonism [DS:H01600]
Nighttime sleep-aid [DS:H01609]
Comment
Diphenhydramine derivative
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
      D00669  Diphenhydramine hydrochloride (JP18/USP) <JP/US>
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA02 Diphenhydramine
      D00669  Diphenhydramine hydrochloride (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Antiemetics
  Antiemetics, Other
   Diphenhydramine
    D00669  Diphenhydramine hydrochloride (JP18/USP)
 Antiparkinson Agents
  Anticholinergics
   Diphenhydramine
    D00669  Diphenhydramine hydrochloride (JP18/USP)
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Histamine (H1) Receptor Antagonists, Sedating
    Diphenhydramine
     D00669  Diphenhydramine hydrochloride (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  44  Allergic agents
   441  Antihistamines
    4411  Diphenhydramines
     D00669  Diphenhydramine hydrochloride (JP18/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for nervous and sensory systems
  01 Cold remedy (oral use)
   D00669  Diphenhydramine hydrochloride (JP18/USP)
  04 Sedative hypnotic agents
   D00669  Diphenhydramine hydrochloride (JP18/USP)
  06 Antivertigo drugs (incl. motion/morning sickness remedies)
   D00669  Diphenhydramine hydrochloride (JP18/USP)
 Allergic agents
  52 Antihistamine based drugs
   D00669  Diphenhydramine hydrochloride (JP18/USP)
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D00669  Diphenhydramine hydrochloride (JP18/USP)
 Agents for ophthalmologic use
  64 Allergy eye drops
   D00669  Diphenhydramine hydrochloride (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D00669  Diphenhydramine hydrochloride (JP18/USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D00669  Diphenhydramine hydrochloride (JP18/USP)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D00669  Diphenhydramine hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
     D00669  Diphenhydramine hydrochloride
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D00669  Diphenhydramine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D00669  Diphenhydramine hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00669  Diphenhydramine hydrochloride
Rx-to-OTC switch list in the USA [br08315.html]
 D00669
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
Other DBs
CAS: 147-24-0
PubChem: 7847735
ChEBI: 4637
LigandBox: D00669
NIKKAJI: J237.227D
LinkDB
KCF data

ATOM        20
            1   X   Cl   34.6500  -16.2400
            2   C1c C    28.0247  -15.1856
            3   C8y C    26.8139  -15.8899
            4   C8y C    29.2415  -15.8899
            5   O2a O    28.0306  -13.7884
            6   C8x C    26.8139  -17.2930
            7   C8x C    25.6030  -15.1856
            8   C8x C    29.2358  -17.2930
            9   C8x C    30.4465  -15.1856
            10  C1b C    29.2415  -13.0840
            11  C8x C    25.6030  -17.9856
            12  C8x C    24.3862  -15.8899
            13  C8x C    30.4465  -17.9856
            14  C8x C    31.6632  -15.8899
            15  C8x C    24.3862  -17.2930
            16  C8x C    31.6573  -17.2930
            17  C1b C    30.4774  -13.7950
            18  N1c N    31.6739  -13.1016
            19  C1a C    32.8632  -13.7857
            20  C1a C    31.6717  -11.6927
BOND        20
            1     6  11 2
            2     7  12 1
            3     8  13 1
            4     9  14 2
            5    11  15 1
            6    13  16 2
            7    12  15 2
            8    14  16 1
            9     2   3 1
            10    2   4 1
            11    2   5 1
            12    3   6 1
            13    3   7 2
            14    4   8 2
            15    4   9 1
            16    5  10 1
            17   10  17 1
            18   17  18 1
            19   18  19 1
            20   18  20 1

» Japanese version   » Back

KEGG   DRUG: Diphenhydramine salicylate
Entry
D02419                      Drug                                   
Name
Diphenhydramine salicylate (JAN)
Formula
C17H21NO. C7H6O3
Exact mass
393.194
Mol weight
393.4755
Structure
Simcomp
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Same as: C14015
ATC code: D04AA32 R06AA02
Chemical structure group: DG00390
Product (DG00390): D00300<JP> D00669<JP/US> D03360<JP> D00520<JP/US>
Product (mixture): D04261<JP> D04425<JP> D08695<JP>
Efficacy
Antiallergic, Antivertigo, H1 receptor antagonist
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
      D02419  Diphenhydramine salicylate (JAN)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA02 Diphenhydramine
      D02419  Diphenhydramine salicylate (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for nervous and sensory systems
  06 Antivertigo drugs (incl. motion/morning sickness remedies)
   D02419  Diphenhydramine salicylate (JAN)
 Allergic agents
  52 Antihistamine based drugs
   D02419  Diphenhydramine salicylate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D02419  Diphenhydramine salicylate (JAN)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D02419  Diphenhydramine salicylate (JAN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
     D02419  Diphenhydramine salicylate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D02419  Diphenhydramine salicylate (JAN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
Other DBs
CAS: 7491-10-3
PubChem: 7849477
ChEBI: 34720 4636
LigandBox: D02419
NIKKAJI: J280.985K
LinkDB
KCF data

ATOM        29
            1   C8y C    35.4176  -17.2194
            2   C8y C    36.6305  -17.9191
            3   C8x C    34.2047  -17.9191
            4   C6a C    35.4176  -15.8198
            5   C8x C    36.6305  -19.3186
            6   O1a O    37.8433  -17.2194
            7   C8x C    34.2047  -19.3186
            8   O6a O    36.6305  -15.1201
            9   O6a O    34.2047  -15.1201
            10  C8x C    35.4176  -20.0183
            11  C1c C    26.8347  -17.2856
            12  C8y C    25.6239  -17.9899
            13  C8y C    28.0515  -17.9899
            14  O2a O    26.8406  -15.8884
            15  C8x C    25.6239  -19.3930
            16  C8x C    24.4130  -17.2856
            17  C8x C    28.0458  -19.3930
            18  C8x C    29.2565  -17.2856
            19  C1b C    28.0515  -15.1840
            20  C8x C    24.4130  -20.0856
            21  C8x C    23.1962  -17.9899
            22  C8x C    29.2565  -20.0856
            23  C8x C    30.4732  -17.9899
            24  C8x C    23.1962  -19.3930
            25  C8x C    30.4673  -19.3930
            26  C1b C    29.2874  -15.8950
            27  N1c N    30.4839  -15.2016
            28  C1a C    31.6732  -15.8857
            29  C1a C    30.4817  -13.7927
BOND        30
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    7  10 2
            11   15  20 2
            12   16  21 1
            13   17  22 1
            14   18  23 2
            15   20  24 1
            16   22  25 2
            17   21  24 2
            18   23  25 1
            19   11  12 1
            20   11  13 1
            21   11  14 1
            22   12  15 1
            23   12  16 2
            24   13  17 2
            25   13  18 1
            26   14  19 1
            27   19  26 1
            28   26  27 1
            29   27  28 1
            30   27  29 1

» Japanese version   » Back

KEGG   DRUG: Diphenhydramine tannate
Entry
D03285                      Drug                                   
Name
Diphenhydramine tannate (JP18);
Restamin A (TN)
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> D03360<JP> D00520<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Diphenhydramine derivative
Target
HRH1 [HSA:3269] [KO:K04149]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
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
      D03285  Diphenhydramine tannate (JP18)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA02 Diphenhydramine
      D03285  Diphenhydramine tannate (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D03285  Diphenhydramine tannate (JP18)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
     D03285  Diphenhydramine tannate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D03285  Diphenhydramine tannate (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03285  Diphenhydramine tannate
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
Other DBs
PubChem: 17397437
LinkDB

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KEGG   DRUG: Diphenhydramine laurylsulfate
Entry
D03360                      Drug                                   
Name
Diphenhydramine laurylsulfate (JAN);
Vena (TN)
Formula
C12H26O4S. C17H21NO
Exact mass
521.3175
Mol weight
521.7522
Structure
Class
Anti-allergic agent
 DG01557  Histamine receptor antagonist
  DG01482  Histamine receptor H1 antagonist
Remark
Therapeutic category: 2642
ATC code: D04AA32 R06AA02
Chemical structure group: DG00390
Product (DG00390): D00300<JP> D00669<JP/US> D03360<JP> D00520<JP/US>
Efficacy
Antiallergic, H1 receptor antagonist
Comment
Diphenhydramine derivative
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
      D03360  Diphenhydramine laurylsulfate (JAN) <JP>
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA02 Diphenhydramine
      D03360  Diphenhydramine laurylsulfate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   264  Analgesics, anti-itchings, astringents, anti-inflammatory agents
    2642  Antihistamines for external use
     D03360  Diphenhydramine laurylsulfate (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D03360  Diphenhydramine laurylsulfate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Diphenhydramine
    D03360  Diphenhydramine laurylsulfate (JAN)
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
     D03360  Diphenhydramine laurylsulfate
Drug classes [BR:br08332]
 Anti-allergic agent
  DG01482  Histamine receptor H1 antagonist
   D03360  Diphenhydramine laurylsulfate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D03360  Diphenhydramine laurylsulfate (JAN) <JP>
Drug groups [BR:br08330]
 Anti-allergic agent
  DG01557  Histamine receptor antagonist
   DG01482  Histamine receptor H1 antagonist
    DG00390  Diphenhydramine
Other DBs
PubChem: 17397509
LigandBox: D03360
LinkDB
KCF data

ATOM        36
            1   C1c C    20.7534  -18.7629
            2   C8y C    19.5421  -19.4675
            3   C8y C    21.9707  -19.4675
            4   O2a O    20.7593  -17.3651
            5   C8x C    19.5421  -20.8712
            6   C8x C    18.3306  -18.7629
            7   C8x C    21.9650  -20.8712
            8   C8x C    23.1762  -18.7629
            9   C1b C    21.9707  -16.6604
            10  C8x C    18.3306  -21.5641
            11  C8x C    17.1133  -19.4675
            12  C8x C    23.1762  -21.5641
            13  C8x C    24.3935  -19.4675
            14  C8x C    17.1133  -20.8712
            15  C8x C    24.3876  -20.8712
            16  C1b C    23.2072  -17.3717
            17  N1c N    24.4042  -16.6780
            18  C1a C    25.5940  -17.3624
            19  C1a C    24.4020  -15.2685
            20  C1b C    43.4700  -19.3900
            21  C1b C    42.2800  -20.0900
            22  C1b C    41.0900  -19.3900
            23  C1b C    39.8300  -20.0900
            24  C1b C    38.6400  -19.3900
            25  C1b C    37.4500  -20.0900
            26  C1b C    36.2600  -19.3900
            27  C1b C    35.0700  -20.0900
            28  C1b C    33.8100  -19.3900
            29  C1b C    32.6200  -20.0900
            30  C1b C    31.4300  -19.3900
            31  O2a O    30.2400  -20.0900
            32  C1a C    44.7300  -20.0900
            33  S4a S    28.8400  -20.0900
            34  O1d O    27.4400  -20.0900
            35  O1d O    28.8400  -18.6900
            36  O1d O    28.8400  -21.4900
BOND        36
            1     5  10 2
            2     6  11 1
            3     7  12 1
            4     8  13 2
            5    10  14 1
            6    12  15 2
            7    11  14 2
            8    13  15 1
            9     1   2 1
            10    1   3 1
            11    1   4 1
            12    2   5 1
            13    2   6 2
            14    3   7 2
            15    3   8 1
            16    4   9 1
            17    9  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   27  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   20  32 1
            33   31  33 1
            34   33  34 1
            35   33  35 2
            36   33  36 2

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KEGG   DRUG: Diphenhydramine citrate
Entry
D03854                      Drug                                   
Name
Diphenhydramine citrate (USP)
Formula
C17H21NO. C6H8O7
Exact mass
447.1893
Mol weight
447.4783
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> D03360<JP> 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
LinkDB
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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