KEGG   COMPOUND: C08037
Entry
C08037                      Compound                               
Name
Benzalkonium chloride;
Parasterol
Formula
C9H13NR. Cl
Structure
Remark
Same as: D00857
Comment
Generic compound
R = C12H25 - C14H29
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AJ Quaternary ammonium compounds
     D08AJ01 Benzalkonium
      D00857  Benzalkonium chloride (JP18/NF/INN) <JP>
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA11 Benzalkonium
      D00857  Benzalkonium chloride (JP18/NF/INN) <JP>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA16 Benzalkonium
      D00857  Benzalkonium chloride (JP18/NF/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   261  Antimicrobial agents
    2616  Medical soaps
     D00857  Benzalkonium chloride (JP18/NF/INN)
    2619  Others
     D00857  Benzalkonium chloride (JP18/NF/INN)
 7  Agents not mainly for therapeutic purpose
  73  Public health agents
   732  Germicides and disinfectants
    7324  Invert soaps
     D00857  Benzalkonium chloride (JP18/NF/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  54 Disinfectants (incl. special bandages)
   D00857  Benzalkonium chloride (JP18/NF/INN)
 Agents for sanitation
  81 Disinfectants
   D00857  Benzalkonium chloride (JP18/NF/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Benzalkonium chloride
    D00857  Benzalkonium chloride (JP18/NF/INN)
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  956  Bath and disinfectants preparations
   9562  Disinfectants preparations
    C08037  Benzalkonium chloride
 99  Agents for not mainly purpose of therapeutic
  992  Amphoteric soap and preparations
   9923  Invert soap and preparations
    C08037  Benzalkonium chloride
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00857  Benzalkonium chloride
  D00857  Benzalkonium chloride solution
  D00857  Benzalkonium chloride concentrated solution 50
Other DBs
CAS: 8001-54-5
PubChem: 10237
ChEBI: 3020
NIKKAJI: J628I
KCF data

ATOM        12
            1   C8y C    22.5769  -17.7693
            2   C1b C    21.3841  -18.4532
            3   C8x C    23.7694  -18.4532
            4   C8x C    22.5769  -16.3953
            5   N1d N    20.2090  -17.7693 #+
            6   C8x C    24.9505  -17.7693
            7   C8x C    23.7694  -15.7114
            8   C1a C    20.2090  -16.3953
            9   C1a C    20.2324  -19.4588
            10  R   R    19.0165  -18.4532
            11  C8x C    24.9505  -16.3953
            12  X   Cl   17.5899  -15.2963 #-
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    7  11 2

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