KEGG   DRUG: Cetrimide
Entry
D02164                      Drug                                   
Name
Cetrimide (JAN)
Formula
C17H38N. Br
Exact mass
335.2188
Mol weight
336.3943
Structure
Simcomp
Remark
Same as: C11279
ATC code: D08AJ04 D11AC01
Chemical structure group: DG00428
Efficacy
Disinfectant
Comment
alkyl chain length may range form C12 to C16 (see [CPD:C11275], [CPD:C11279], [CPD:C20389])
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
     D08AJ04 Cetrimide
      D02164  Cetrimide (JAN)
  D11 OTHER DERMATOLOGICAL PREPARATIONS
   D11A OTHER DERMATOLOGICAL PREPARATIONS
    D11AC Medicated shampoos
     D11AC01 Cetrimide
      D02164  Cetrimide (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  54 Disinfectants (incl. special bandages)
   D02164  Cetrimide (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Cetrimide
    D02164  Cetrimide (JAN)
Other DBs
CAS: 8044-71-1
PubChem: 7849225
LigandBox: D02164
NIKKAJI: J257.305I
LinkDB
KCF data

ATOM        19
            1   N1d N    10.7699  -16.8172 #+
            2   C1b C    11.9789  -16.1074
            3   C1b C    13.1879  -16.8101
            4   C1b C    14.3967  -16.1003
            5   C1b C    15.6056  -16.8030
            6   C1b C    16.8145  -16.0934
            7   C1b C    18.0234  -16.7961
            8   C1b C    19.2253  -16.0863
            9   C1b C    20.4343  -16.7890
            10  C1b C    21.6432  -16.0792
            11  C1b C    22.8520  -16.7819
            12  C1b C    24.0610  -16.0723
            13  C1b C    25.2698  -16.7750
            14  C1a C     9.7789  -15.8192
            15  C1a C     9.5540  -17.5060
            16  C1a C    11.1355  -18.1667
            17  C1b C    26.4829  -16.0736
            18  C1a C    27.6943  -16.7779
            19  X   Br   10.9526  -14.1462 #-
BOND        17
            1    10  11 1
            2    11  12 1
            3     5   6 1
            4    12  13 1
            5     2   3 1
            6     6   7 1
            7     7   8 1
            8     3   4 1
            9     1  14 1
            10    8   9 1
            11    1  15 1
            12    1   2 1
            13    1  16 1
            14    9  10 1
            15   13  17 1
            16   17  18 1
            17    4   5 1

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