KEGG   DRUG: D01140Help
Entry
D01140                      Drug                                   

Name
Benzethonium chloride (JP16/USP/INN);
Hyamine (TN);
Microklenz (TN);
Neostelin green (TN)
Formula
C27H42NO2. Cl
Exact mass
447.2904
Mol weight
448.0809
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-infective, topical;
Pharmaceutic aid [preservative]
Remark
Same as: 
Therapeutic category: 
ATC code: 
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   261  Antimicrobial agents
    2616  Medical soaps
     D01140  Benzethonium chloride (JP16/USP/INN)
  27  Dental preparations
   279  Miscellaneous
    2790  Miscellaneous
     D01140  Benzethonium chloride (JP16/USP/INN)
 7  Agents not mainly for therapeutic purpose
  73  Public health agents
   732  Germicides and disinfectants
    7324  Invert soaps
     D01140  Benzethonium chloride (JP16/USP/INN)
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 (JP16/USP/INN)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA09 Benzethonium
      D01140  Benzethonium chloride (JP16/USP/INN)
BRITE hierarchy
Other DBs
CAS: 
121-54-0
PubChem: 
LigandBox: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8x C    16.8000  -10.1500
            2   C8y C    16.8000  -11.5500
            3   C8x C    18.0124  -12.2500
            4   C8x C    19.2249  -11.5500
            5   C8y C    19.2249  -10.1500
            6   C8x C    18.0124   -9.4500
            7   C1d C    15.5876  -12.2500
            8   O2a O    20.4560   -9.4390
            9   C1b C    21.6612  -10.1347
            10  C1b C    22.8435   -9.4519
            11  O2a O    24.0375  -10.1412
            12  C1b C    25.2254   -9.4552
            13  C1b C    26.4165  -10.1429
            14  N1d N    27.6059   -9.4561 #+
            15  C1b C    14.3751  -13.0200
            16  C1a C    14.8934  -11.0473
            17  C1a C    16.2930  -13.4721
            18  C1d C    14.3750  -14.4198
            19  C1a C    14.3750  -15.8198
            20  C1a C    12.9500  -14.4197
            21  C1a C    15.7500  -14.4198
            22  C1b C    28.7962  -10.1434
            23  C8y C    29.9861   -9.4563
            24  C8x C    31.1762  -10.1435
            25  C8x C    32.3886   -9.4435
            26  C8x C    32.3887   -8.0435
            27  C8x C    31.1985   -7.3563
            28  C8x C    29.9861   -8.0563
            29  C1a C    27.6060   -8.0502
            30  C1a C    27.6059  -10.8561
            31  X   Cl   27.4400  -12.7400 #-
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   » Back

DBGET integrated database retrieval system