KEGG   DRUG: Chlorhexidine hydrochloride
Entry
D01345                      Drug                                   
Name
Chlorhexidine hydrochloride (JP18/USP);
Dantroche hibitane (TN)
Formula
C22H30Cl2N10. 2HCl
Exact mass
576.1566
Mol weight
578.3685
Structure
Simcomp
Remark
ATC code: A01AB03 B05CA02 D08AC02 D09AA12 R02AA05 S01AX09 S02AA09 S03AA04
Chemical structure group: DG00001
Product (DG00001): D00858<JP/US>
Product (mixture): D04425<JP>
Efficacy
Antibacterial, Disinfectant, Cell membrane function inhibitor
Comment
Biguanide
Target
Lipopolysaccharide
Lipoteichoic acid
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A01 STOMATOLOGICAL PREPARATIONS
   A01A STOMATOLOGICAL PREPARATIONS
    A01AB Antiinfectives and antiseptics for local oral treatment
     A01AB03 Chlorhexidine
      D01345  Chlorhexidine hydrochloride (JP18/USP)
 B BLOOD AND BLOOD FORMING ORGANS
  B05 BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
   B05C IRRIGATING SOLUTIONS
    B05CA Antiinfectives
     B05CA02 Chlorhexidine
      D01345  Chlorhexidine hydrochloride (JP18/USP)
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AC Biguanides and amidines
     D08AC02 Chlorhexidine
      D01345  Chlorhexidine hydrochloride (JP18/USP)
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA12 Chlorhexidine
      D01345  Chlorhexidine hydrochloride (JP18/USP)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA05 Chlorhexidine
      D01345  Chlorhexidine hydrochloride (JP18/USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AX Other antiinfectives
     S01AX09 Chlorhexidine
      D01345  Chlorhexidine hydrochloride (JP18/USP)
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA09 Chlorhexidine
      D01345  Chlorhexidine hydrochloride (JP18/USP)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA04 Chlorhexidine
      D01345  Chlorhexidine hydrochloride (JP18/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  54 Disinfectants (incl. special bandages)
   D01345  Chlorhexidine hydrochloride (JP18/USP)
 Agents for dental and stomatological use
  73 Stomatologic and laryngologic remedies (incl. toche without claims for cough and phlegm)
   D01345  Chlorhexidine hydrochloride (JP18/USP)
  75 Toothache and pyorrhea remedies
   D01345  Chlorhexidine hydrochloride (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Chlorhexidine
    D01345  Chlorhexidine hydrochloride (JP18/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01345  Chlorhexidine hydrochloride
Other DBs
CAS: 3697-42-5
PubChem: 7848408
ChEBI: 31393
LigandBox: D01345
NIKKAJI: J244.665K
KCF data

ATOM        36
            1   C8y C    14.4119  -15.6024
            2   N1b N    15.6268  -16.2923
            3   C8x C    13.2047  -16.3000
            4   C8x C    14.4119  -14.1995
            5   C2c C    16.8338  -15.5947
            6   C8x C    11.9897  -15.6024
            7   C8x C    13.2047  -13.4939
            8   N1b N    18.0488  -16.2923
            9   N2a N    16.8338  -14.1995
            10  C8y C    11.9897  -14.1995
            11  C2c C    19.2635  -15.5947
            12  X   Cl   10.7768  -13.4939
            13  N1b N    20.4784  -16.2923
            14  N2a N    19.2635  -14.1915
            15  C1b C    21.6934  -15.5947
            16  C1b C    22.9083  -16.2923
            17  C1b C    24.1233  -15.5947
            18  C1b C    25.3381  -16.2923
            19  C1b C    26.5451  -15.5947
            20  C1b C    27.7600  -16.2843
            21  N1b N    28.9750  -15.5867
            22  C2c C    30.1899  -16.2843
            23  N1b N    31.4047  -15.5867
            24  N2a N    30.1899  -17.6875
            25  C2c C    32.6196  -16.2843
            26  N1b N    33.8345  -15.5867
            27  N2a N    32.6196  -17.6875
            28  C8y C    35.0415  -16.2843
            29  C8x C    35.1038  -17.6795
            30  C8x C    36.2488  -15.5790
            31  C8x C    36.2488  -18.3771
            32  C8x C    37.4637  -16.2766
            33  C8y C    37.4637  -17.6718
            34  X   Cl   38.6784  -18.3771
            35  X   Cl   37.5900  -14.4200
            36  X   Cl   37.5900  -14.4200
BOND        35
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     5   8 1
            8     5   9 2
            9     6  10 2
            10    8  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14   13  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   22  24 2
            24   23  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   28  29 2
            29   28  30 1
            30   29  31 1
            31   30  32 2
            32   31  33 2
            33   33  34 1
            34    7  10 1
            35   32  33 1
BRACKET     1    36.0500  -15.1200   36.0500  -13.7200
            1    38.3600  -13.7200   38.3600  -15.1200
            1  2
 ORIGINAL  1   35
 REPEAT    1   36

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