KEGG   DRUG: Benzalkonium chloride
Entry
D00857                      Drug                                   
Name
Benzalkonium chloride (JP18/NF/INN);
Zephiran chloride (TN)
Formula
C9H13NR. Cl
Structure
Simcomp
Remark
Same as: C08037
Therapeutic category: 2616 2619 7324
ATC code: D08AJ01 D09AA11 R02AA16
Product: D00857<JP>
Product (mixture): D04425<JP>
Efficacy
Disinfectant, Pharmaceutic aid (preservative)
Comment
Quaternary ammonium compound
R: C8H17 or C18H37
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)
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: 7847922
ChEBI: 3020
NIKKAJI: J628I
LinkDB
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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