KEGG   COMPOUND: C11275Help
Entry
C11275                      Compound                               

Name
Cetyltrimethylammonium bromide;
Cetrimonium bromide;
Trimethylcetylammonium bromide;
Hexadecanyltrimethylammonium bromide;
CTAB
Formula
C19H42N. Br
Exact mass
363.2501
Mol weight
364.4475
Structure
Mol fileKCF fileDB search
Remark
Same as: D03454
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AJ Quaternary ammonium compounds
     D08AJ02 Cetrimonium
      D03454  Cetrimonium bromide (NF/INN)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA17 Cetrimonium
      D03454  Cetrimonium bromide (NF/INN)
BRITE hierarchy
Other DBs
CAS: 57-09-0
PubChem: 13452
ChEBI: 3567
ChEMBL: CHEMBL307346
NIKKAJI: J231.263H
KCF data Show

ATOM        21
            1   N1d N    18.9256  -20.2423 #+
            2   C1b C    20.1352  -19.5349
            3   C1b C    21.3448  -20.2352
            4   C1b C    22.5543  -19.5278
            5   C1b C    23.7639  -20.2281
            6   C1b C    24.9735  -19.5208
            7   C1b C    26.1830  -20.2211
            8   C1b C    27.3926  -19.5137
            9   C1b C    28.6022  -20.2140
            10  C1b C    29.8117  -19.5066
            11  C1b C    31.0213  -20.2068
            12  C1b C    32.2308  -19.4996
            13  C1b C    33.4404  -20.1999
            14  C1b C    34.6500  -19.4925
            15  C1b C    35.8595  -20.1928
            16  C1b C    37.0691  -19.4854
            17  C1a C    38.2787  -20.1856
            18  C1a C    17.9283  -19.2450
            19  C1a C    17.7089  -20.9355
            20  C1a C    19.2864  -21.5933
            21  X   Br   19.0671  -17.5543 #-
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    1  18 1
            15    8   9 1
            16    1  19 1
            17    1   2 1
            18    1  20 1
            19    9  10 1

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