KEGG   COMPOUND: C06960
Entry
C06960                      Compound                               

Name
Diphenhydramine
Formula
C17H21NO
Exact mass
255.1623
Mol weight
255.3547
Structure
Remark
Same as: D00300
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>
USP drug classification [BR:br08302]
 Antiparkinson Agents
  Anticholinergics
   Diphenhydramine
    D00300  Diphenhydramine (JP18/INN)
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Histamine (H1) Receptor Antagonists, Sedating
    Diphenhydramine
     D00300  Diphenhydramine (JP18/INN)
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)
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  953  Analgesics, anti-itchings, astringents and antiinflammatory agents
   9532  Anti-histaminic and preparations
    C06960  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
Other DBs
CAS: 58-73-1
PubChem: 9174
ChEMBL: CHEMBL657
PDB-CCD: 2PM[PDBj]
KCF data

ATOM        19
            1   C1c C    29.5647  -15.7456
            2   C8y C    28.3539  -16.4499
            3   C8y C    30.7815  -16.4499
            4   O2a O    29.5706  -14.3484
            5   C8x C    28.3539  -17.8530
            6   C8x C    27.1430  -15.7456
            7   C8x C    30.7758  -17.8530
            8   C8x C    31.9865  -15.7456
            9   C1b C    30.7815  -13.6440
            10  C8x C    27.1430  -18.5456
            11  C8x C    25.9262  -16.4499
            12  C8x C    31.9865  -18.5456
            13  C8x C    33.2032  -16.4499
            14  C8x C    25.9262  -17.8530
            15  C8x C    33.1973  -17.8530
            16  C1b C    32.0174  -14.3550
            17  N1c N    33.2139  -13.6616
            18  C1a C    34.4032  -14.3457
            19  C1a C    33.2117  -12.2527
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

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