KEGG   DRUG: Cetrimonium
Entry
D07664                      Drug                                   
Name
Cetrimonium (DCF)
Formula
C19H42N
Exact mass
284.3317
Mol weight
284.5435
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
      D07664  Cetrimonium (DCF)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA17 Cetrimonium
      D07664  Cetrimonium (DCF)
Other DBs
CAS: 6899-10-1
PubChem: 96024456
PDB-CCD: 16A[PDBj]
LigandBox: D07664
NIKKAJI: J8.861G
KCF data

ATOM        20
            1   N1d N    15.0500  -18.6900 #+
            2   C1b C    16.3100  -17.9900
            3   C1b C    17.5000  -18.6900
            4   C1b C    18.6900  -17.9900
            5   C1b C    19.8800  -18.6900
            6   C1b C    21.1400  -17.9900
            7   C1b C    22.3300  -18.6900
            8   C1b C    23.5200  -17.9900
            9   C1b C    24.7800  -18.6900
            10  C1b C    25.9700  -17.9900
            11  C1b C    27.1600  -18.6900
            12  C1b C    28.3500  -17.9900
            13  C1b C    29.6100  -18.6900
            14  C1b C    30.8000  -17.9200
            15  C1b C    32.0600  -18.6200
            16  C1b C    33.3200  -17.9200
            17  C1a C    34.5100  -18.6200
            18  C1a C    13.8600  -19.3900
            19  C1a C    14.3500  -17.5000
            20  C1a C    15.7500  -19.8800
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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