KEGG   DRUG: Cetylpyridinium chloride
Entry
D01062                      Drug                                   

Name
Cetylpyridinium chloride (USP);
Cetylpyridinium chloride hydrate (JAN);
Sprol (TN)
Formula
C21H38N. Cl. H2O
Exact mass
357.2798
Mol weight
358.0014
Structure
Simcomp
Remark
Same as: C11307
Therapeutic category: 2399
ATC code: B05CA01 D08AJ03 D09AA07 R02AA06
Chemical structure group: DG00184
Product (DG00184): D01062<JP>
Product (mixture): D04881<JP>
Efficacy
Disinfectant (oral), Pharmaceutic aid (preservative)
Comment
Quaternary ammonium compound
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B05 BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
   B05C IRRIGATING SOLUTIONS
    B05CA Antiinfectives
     B05CA01 Cetylpyridinium
      D01062  Cetylpyridinium chloride (USP) <JP>
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AJ Quaternary ammonium compounds
     D08AJ03 Cetylpyridinium
      D01062  Cetylpyridinium chloride (USP) <JP>
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA07 Cetylpyridinium
      D01062  Cetylpyridinium chloride (USP) <JP>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA06 Cetylpyridinium
      D01062  Cetylpyridinium chloride (USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D01062  Cetylpyridinium chloride (USP); Cetylpyridinium chloride hydrate (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for respiratory organs
  27 Gargles
   D01062  Cetylpyridinium chloride (USP)
 Agents for integumentary system
  54 Disinfectants (incl. special bandages)
   D01062  Cetylpyridinium chloride (USP)
 Agents for dental and stomatological use
  73 Stomatologic and laryngologic remedies (incl. toche without claims for cough and phlegm)
   D01062  Cetylpyridinium chloride (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Cetylpyridinium
    D01062  Cetylpyridinium chloride (USP)
Antimicrobials [BR:br08307]
 Antibacterials
  Bactericidal action
   Quaternary ammonium compound
    D01062  Cetylpyridinium chloride (USP) <JP>
Other DBs
CAS: 6004-24-6
PubChem: 7848125
ChEBI: 3566
ChEMBL: CHEMBL2003538
LigandBox: D01062
NIKKAJI: J257.089K
LinkDB
KCF data

ATOM        24
            1   X   Cl   36.2600   -8.2600 #-
            2   O0  O    37.5900  -11.3400
            3   C1b C    14.3500   -8.3300
            4   C1b C    15.6100   -9.0300
            5   C1b C    16.8000   -8.4000
            6   C1b C    17.9900   -9.1000
            7   C1b C    19.2500   -8.4000
            8   C1b C    20.4400   -9.1000
            9   C1b C    21.6300   -8.4000
            10  C1b C    22.8900   -9.1700
            11  C1b C    24.0800   -8.4700
            12  C1b C    25.2700   -9.1700
            13  C1b C    26.5300   -8.5400
            14  C1b C    27.7900   -9.2400
            15  C1b C    28.9100   -8.5400
            16  C1b C    30.1700   -9.3100
            17  C1b C    31.3600   -8.6100
            18  N5y N    32.5500   -9.3100 #+
            19  C1a C    13.0900   -9.1000
            20  C8x C    32.5386  -10.7100
            21  C8x C    33.7453  -11.4198
            22  C8x C    34.9634  -10.7297
            23  C8x C    34.9748   -9.3297
            24  C8x C    33.7681   -8.6199
BOND        22
            1     6   7 1
            2     7   8 1
            3     8   9 1
            4     9  10 1
            5    10  11 1
            6    11  12 1
            7    12  13 1
            8    13  14 1
            9    14  15 1
            10   15  16 1
            11   16  17 1
            12   17  18 1
            13    3   4 1
            14    4   5 1
            15    5   6 1
            16    3  19 1
            17   18  20 2
            18   20  21 1
            19   21  22 2
            20   22  23 1
            21   23  24 2
            22   18  24 1

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