KEGG   COMPOUND: C12539Help
Entry
C12539                      Compound                               

Name
Benzethonium chloride
Formula
C27H42NO2. Cl
Exact mass
447.2904
Mol weight
448.0809
Structure
Mol fileKCF fileDB search
Remark
Same as: D01140
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AJ Quaternary ammonium compounds
     D08AJ08 Benzethonium chloride
      D01140  Benzethonium chloride (JP17/USP/INN) <JP>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA09 Benzethonium
      D01140  Benzethonium chloride (JP17/USP/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   261  Antimicrobial agents
    2616  Medical soaps
     D01140  Benzethonium chloride (JP17/USP/INN)
  27  Dental preparations
   279  Miscellaneous
    2790  Miscellaneous
     D01140  Benzethonium chloride (JP17/USP/INN)
 7  Agents not mainly for therapeutic purpose
  73  Public health agents
   732  Germicides and disinfectants
    7324  Invert soaps
     D01140  Benzethonium chloride (JP17/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  54 Disinfectants (incl. special bandages)
   D01140  Benzethonium chloride (JP17/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Benzethonium chloride
    D01140  Benzethonium chloride (JP17/USP/INN)
Pharmaceutical additives in Japan [BR:br08316]
 Stabilizing agent
  D01140  [001110] Benzethonium chloride
 Dispersant
  D01140  [001110] Benzethonium chloride
 Antiseptic agent
  D01140  [001110] Benzethonium chloride
  D01140  [500074] Benzethonium chloride solution
 Preserving agent
  D01140  [001110] Benzethonium chloride
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01140  Benzethonium chloride
  D01140  Benzethonium chloride solution
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  956  Bath and disinfectants preparations
   9562  Disinfectants preparations
    C12539  Benzethonium chloride
BRITE hierarchy
Other DBs
CAS: 121-54-0
PubChem: 582929
ChEBI: 31264
ChEMBL: CHEMBL221753
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8x C    21.4913  -16.7731
            2   C8y C    21.4913  -18.1790
            3   C8x C    22.7088  -18.8820
            4   C8x C    23.9265  -18.1790
            5   C8y C    23.9265  -16.7731
            6   C8x C    22.7088  -16.0701
            7   C1d C    20.2737  -18.8820
            8   O2a O    25.1628  -16.0590
            9   C1b C    26.3731  -16.7577
            10  C1b C    27.5604  -16.0720
            11  O2a O    28.7595  -16.7642
            12  C1b C    29.9524  -16.0753
            13  C1b C    31.1486  -16.7659
            14  N1d N    32.3430  -16.0762 #+
            15  C1b C    19.0561  -19.6552
            16  C1a C    19.5766  -17.6742
            17  C1a C    20.9821  -20.1093
            18  C1d C    19.0560  -21.0610
            19  C1a C    19.0560  -22.4669
            20  C1a C    17.6249  -21.0609
            21  C1a C    20.4368  -21.0610
            22  C1b C    33.5384  -16.7664
            23  C8y C    34.7333  -16.0764
            24  C8x C    35.9285  -16.7665
            25  C8x C    37.1460  -16.0636
            26  C8x C    37.1461  -14.6576
            27  C8x C    35.9509  -13.9675
            28  C8x C    34.7333  -14.6705
            29  C1a C    32.3431  -14.6644
            30  C1a C    32.3430  -17.4822
            31  X   Cl   32.1764  -19.3740 #-
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    7  15 1
            16    7  16 1
            17    7  17 1
            18   15  18 1
            19   18  19 1
            20   18  20 1
            21   18  21 1
            22   14  22 1
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   23  28 1
            30   14  29 1
            31   14  30 1

» Japanese version

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