KEGG   DRUG: Cetylpyridinium
Entry
D07666                      Drug                                   
Name
Cetylpyridinium (DCF)
Formula
C21H38N
Exact mass
304.3004
Mol weight
304.5331
Structure
Simcomp
Remark
ATC code: B05CA01 D08AJ03 D09AA07 R02AA06
Chemical structure group: DG00184
Product (DG00184): D01062<JP>
Efficacy
Antiseptic, Disinfectant
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
      D07666  Cetylpyridinium (DCF)
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AJ Quaternary ammonium compounds
     D08AJ03 Cetylpyridinium
      D07666  Cetylpyridinium (DCF)
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA07 Cetylpyridinium
      D07666  Cetylpyridinium (DCF)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA06 Cetylpyridinium
      D07666  Cetylpyridinium (DCF)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Cetylpyridinium
    D07666  Cetylpyridinium (DCF)
Antimicrobials [BR:br08307]
 Antibacterials
  Bactericidal action
   Quaternary ammonium compound
    D07666  Cetylpyridinium (DCF)
Other DBs
CAS: 7773-52-6
PubChem: 96024457
LigandBox: D07666
NIKKAJI: J66.625D
LinkDB
KCF data

ATOM        22
            1   C1b C    12.5399  -13.4523
            2   C1b C    13.8009  -14.1529
            3   C1b C    14.9918  -13.5224
            4   C1b C    16.1827  -14.2229
            5   C1b C    17.4436  -13.5224
            6   C1b C    18.6345  -14.2229
            7   C1b C    19.8254  -13.5224
            8   C1b C    21.0864  -14.2930
            9   C1b C    22.2773  -13.5925
            10  C1b C    23.4682  -14.2930
            11  C1b C    24.7291  -13.6625
            12  C1b C    25.9901  -14.3630
            13  C1b C    27.1109  -13.6625
            14  C1b C    28.3718  -14.4331
            15  C1b C    29.5627  -13.7326
            16  N5y N    30.7536  -14.4331 #+
            17  C8x C    30.7536  -15.8341
            18  C8x C    31.9445  -16.5347
            19  C8x C    33.2054  -15.8341
            20  C8x C    33.2055  -14.5031
            21  C8x C    32.0146  -13.8026
            22  C1a C    11.2790  -14.2229
BOND        22
            1     4   5 1
            2     5   6 1
            3     6   7 1
            4     7   8 1
            5     8   9 1
            6     9  10 1
            7    10  11 1
            8    11  12 1
            9    12  13 1
            10   13  14 1
            11   14  15 1
            12   15  16 1
            13    1   2 1
            14    2   3 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   21  16 1
            21    3   4 1
            22    1  22 1

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