KEGG   DRUG: Dequalinium chloride
Entry
D01575                      Drug                                   
Name
Dequalinium chloride (JAN/INN);
Nordman (TN)
Formula
C30H40N4. 2Cl
Exact mass
526.263
Mol weight
527.5714
Structure
Remark
Therapeutic category: 2399
ATC code: D08AH01 G01AC05 R02AA02
Chemical structure group: DG00426
Product (DG00426): D01575<JP>
Efficacy
Antiseptic, Disinfectant
Comment
Quinoline derivative, Quaternary ammonium compound
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AH Quinoline derivatives
     D08AH01 Dequalinium
      D01575  Dequalinium chloride (JAN/INN) <JP>
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G01 GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
   G01A ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS
    G01AC Quinoline derivatives
     G01AC05 Dequalinium
      D01575  Dequalinium chloride (JAN/INN) <JP>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA02 Dequalinium
      D01575  Dequalinium chloride (JAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  23  Digestive organ agents
   239  Miscellaneous
    2399  Others
     D01575  Dequalinium chloride (JAN/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for dental and stomatological use
  73 Stomatologic and laryngologic remedies (incl. toche without claims for cough and phlegm)
   D01575  Dequalinium chloride (JAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Dequalinium chloride
    D01575  Dequalinium chloride (JAN/INN)
Antimicrobials [BR:br08307]
 Antibacterials
  Bactericidal action
   Quaternary ammonium compound
    D01575  Dequalinium chloride (JAN/INN) <JP>
Other DBs
CAS: 522-51-0
PubChem: 7848638
ChEBI: 31466
LigandBox: D01575
NIKKAJI: J276.264A
KCF data

ATOM        36
            1   X   Cl   12.0400  -17.6400 #-
            2   X   Cl   21.4900  -23.0300 #-
            3   N5y N    10.2200  -20.7900 #+
            4   C8y C     9.0300  -20.0900
            5   C8x C     7.7700  -20.8600
            6   C8y C     7.7700  -22.2600
            7   C8y C     9.0300  -22.9600
            8   C8y C    10.2200  -22.1900
            9   C1a C     9.0300  -18.7600
            10  N1a N     6.5800  -22.9600
            11  C8x C     9.0300  -24.3600
            12  C8x C    10.2200  -24.9900
            13  C8x C    11.4100  -24.2900
            14  C8x C    11.4100  -22.8900
            15  C1b C    11.4100  -20.0900
            16  C1b C    12.6000  -20.7900
            17  C1b C    13.7900  -20.0900
            18  C1b C    14.9800  -20.7900
            19  C1b C    16.1700  -20.0900
            20  C1b C    17.3600  -20.7900
            21  C1b C    18.5500  -20.0900
            22  C1b C    19.7400  -20.7900
            23  C1b C    20.9300  -20.0900
            24  C1b C    22.1200  -20.7900
            25  N5y N    23.3800  -20.0900 #+
            26  C8y C    24.5700  -20.7900
            27  C8x C    25.7600  -20.0900
            28  C8y C    25.7600  -18.6900
            29  C8y C    24.5700  -17.9900
            30  C8y C    23.3800  -18.6900
            31  C1a C    24.5700  -22.1900
            32  N1a N    27.0200  -17.9900
            33  C8x C    24.5700  -16.5900
            34  C8x C    23.3800  -15.8900
            35  C8x C    22.0500  -16.5900
            36  C8x C    22.0500  -17.9900
BOND        37
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 1
            6     3   8 1
            7     4   9 1
            8     6  10 1
            9     7  11 2
            10   11  12 1
            11   12  13 2
            12   13  14 1
            13    8  14 2
            14    3  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 2
            26   26  27 1
            27   27  28 2
            28   28  29 1
            29   29  30 1
            30   25  30 1
            31   26  31 1
            32   28  32 1
            33   29  33 2
            34   33  34 1
            35   34  35 2
            36   35  36 1
            37   30  36 2

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