KEGG   DRUG: Cetrimonium chloride
Entry
D07672                      Drug                                   
Name
Cetrimonium chloride (BAN);
Surfaktivo (TN)
Formula
C19H42N. Cl
Exact mass
319.3006
Mol weight
319.9965
Structure
Simcomp
Remark
ATC code: D08AJ02 R02AA17
Chemical structure group: DG00427
Efficacy
Antiseptic, Disinfectant
Comment
Quaternary ammonium compound
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AJ Quaternary ammonium compounds
     D08AJ02 Cetrimonium
      D07672  Cetrimonium chloride (BAN)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA17 Cetrimonium
      D07672  Cetrimonium chloride (BAN)
Other DBs
CAS: 112-02-7
PubChem: 51091974
LigandBox: D07672
NIKKAJI: J237.193F
KCF data

ATOM        21
            1   N1d N    15.0500  -17.9200 #+
            2   C1b C    16.3100  -17.2200
            3   C1b C    17.5000  -17.9200
            4   C1b C    18.6900  -17.2200
            5   C1b C    19.8800  -17.9200
            6   C1b C    21.1400  -17.2200
            7   C1b C    22.3300  -17.9200
            8   C1b C    23.5200  -17.2200
            9   C1b C    24.7800  -17.9200
            10  C1b C    25.9700  -17.2200
            11  C1b C    27.1600  -17.9200
            12  C1b C    28.2800  -17.2200
            13  C1b C    29.5400  -17.9200
            14  C1b C    30.7300  -17.1500
            15  C1b C    31.9900  -17.8500
            16  C1b C    33.2500  -17.1500
            17  C1a C    34.4400  -17.8500
            18  C1a C    13.8600  -18.6200
            19  C1a C    14.3500  -16.7300
            20  C1a C    15.7500  -19.1100
            21  X   Cl   17.7100  -14.2800 #-
BOND        19
            1     4   5 1
            2    10  11 1
            3    11  12 1
            4     5   6 1
            5    12  13 1
            6     2   3 1
            7    13  14 1
            8     6   7 1
            9    14  15 1
            10   15  16 1
            11    7   8 1
            12   16  17 1
            13    3   4 1
            14    8   9 1
            15    1   2 1
            16    9  10 1
            17    1  18 1
            18    1  19 1
            19    1  20 1

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