KEGG   COMPOUND: C08038
Entry
C08038                      Compound                               
Name
Chlorhexidine gluconate;
Hibitane gluconate
Formula
C22H30Cl2N10. (C6H12O7)2
Exact mass
896.3198
Mol weight
897.7572
Structure
Remark
Same as: D00858
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
      D00858  Chlorhexidine gluconate (JP18/USP) <JP/US>
 B BLOOD AND BLOOD FORMING ORGANS
  B05 BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
   B05C IRRIGATING SOLUTIONS
    B05CA Antiinfectives
     B05CA02 Chlorhexidine
      D00858  Chlorhexidine gluconate (JP18/USP) <JP/US>
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AC Biguanides and amidines
     D08AC02 Chlorhexidine
      D00858  Chlorhexidine gluconate (JP18/USP) <JP/US>
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA12 Chlorhexidine
      D00858  Chlorhexidine gluconate (JP18/USP) <JP/US>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA05 Chlorhexidine
      D00858  Chlorhexidine gluconate (JP18/USP) <JP/US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AX Other antiinfectives
     S01AX09 Chlorhexidine
      D00858  Chlorhexidine gluconate (JP18/USP) <JP/US>
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA09 Chlorhexidine
      D00858  Chlorhexidine gluconate (JP18/USP) <JP/US>
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA04 Chlorhexidine
      D00858  Chlorhexidine gluconate (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Dental and Oral Agents
  Chlorhexidine
   D00858  Chlorhexidine gluconate (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   261  Antimicrobial agents
    2619  Others
     D00858  Chlorhexidine gluconate (JP18/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for respiratory organs
  27 Gargles
   D00858  Chlorhexidine gluconate (JP18/USP)
 Agents for integumentary system
  54 Disinfectants (incl. special bandages)
   D00858  Chlorhexidine gluconate (JP18/USP)
  56 Purulent skin remedies
   D00858  Chlorhexidine gluconate (JP18/USP)
 Agents for sanitation
  81 Disinfectants
   D00858  Chlorhexidine gluconate (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Chlorhexidine
    D00858  Chlorhexidine gluconate (JP18/USP)
Animal drugs in Japan [BR:br08331]
 99  Agents for not mainly purpose of therapeutic
  992  Amphoteric soap and preparations
   9929  Other agents for disinfections
    D00858  Chlorhexidine gluconate
Animal drugs in Japan [BR:br08331]
 94  Agents for breeding
  944  Agents for mastitis (except antibiotics, sulfonamide derivatives and preparations)
   9449  Other agents for mastitist
    C08038  Chlorhexidine gluconate
 99  Agents for not mainly purpose of therapeutic
  993  Insecticides and insect-repellents
   9939  Other insecticides and insect repellents
    C08038  Hibitane gluconate
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00858  Chlorhexidine gluconate solution
Other DBs
CAS: 18472-51-0
PubChem: 10238
KCF data

ATOM        60
            1   C8y C    16.8144  -13.4247
            2   N1b N    18.0373  -14.1145
            3   C8x C    15.6073  -14.1145
            4   C8x C    16.8144  -12.0138
            5   C2c C    19.2364  -13.4090
            6   C8x C    14.4003  -13.4247
            7   C8x C    15.6073  -11.3083
            8   N1b N    20.4513  -14.1145
            9   N2a N    19.2364  -12.0138
            10  C8y C    14.4003  -12.0138
            11  C2c C    21.6662  -13.4090
            12  X   Cl   13.1774  -11.3083
            13  N1b N    22.8812  -14.1145
            14  N2a N    21.6662  -12.0138
            15  C1b C    24.0962  -13.4090
            16  C1b C    25.3189  -14.1145
            17  C1b C    26.5258  -13.4090
            18  C1b C    27.7409  -14.1145
            19  C1b C    28.9558  -13.4090
            20  C1b C    30.1627  -14.1066
            21  N1b N    31.3857  -13.4090
            22  C2c C    32.5927  -14.1066
            23  N1b N    33.8154  -13.4090
            24  N2a N    32.5927  -15.5098
            25  C2c C    35.0226  -14.1066
            26  N1b N    36.2454  -13.4090
            27  N2a N    35.0226  -15.5098
            28  C8y C    37.4524  -14.1066
            29  C8x C    37.4446  -15.5018
            30  C8x C    38.6516  -13.4013
            31  C8x C    38.6516  -16.1917
            32  C8x C    39.8666  -14.0909
            33  C8y C    39.8666  -15.4861
            34  X   Cl   41.0816  -16.1917
            35  C1c C    25.2602  -17.9134
            36  C1c C    26.4498  -18.6132
            37  C1c C    24.0707  -18.6132
            38  O1a O    25.2602  -16.5140
            39  C1c C    27.7093  -17.9134
            40  O1a O    26.4498  -20.0126
            41  C1b C    22.8811  -17.9134
            42  O1a O    24.0707  -20.0126
            43  C6a C    28.8988  -18.6132
            44  O1a O    27.7093  -16.5140
            45  O1a O    21.6216  -18.6132
            46  O6a O    30.0884  -17.9134
            47  O6a O    28.8988  -20.0126
            48  C1c C    25.2602  -17.9134
            49  C1c C    26.4498  -18.6132
            50  C1c C    27.7093  -17.9134
            51  C6a C    28.8988  -18.6132
            52  O6a O    30.0884  -17.9134
            53  O6a O    28.8988  -20.0126
            54  O1a O    27.7093  -16.5140
            55  O1a O    26.4498  -20.0126
            56  C1c C    24.0707  -18.6132
            57  C1b C    22.8811  -17.9134
            58  O1a O    21.6216  -18.6132
            59  O1a O    24.0707  -20.0126
            60  O1a O    25.2602  -16.5140
BOND        59
            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
            36   35  36 1
            37   35  37 1
            38   35  38 1 #Up
            39   36  39 1
            40   36  40 1 #Up
            41   37  41 1
            42   37  42 1 #Down
            43   39  43 1
            44   39  44 1 #Up
            45   41  45 1
            46   43  46 1
            47   43  47 2
            48   48  49 1
            49   48  56 1
            50   48  60 1 #Up
            51   49  50 1
            52   49  55 1 #Up
            53   56  57 1
            54   56  59 1 #Down
            55   50  51 1
            56   50  54 1 #Up
            57   57  58 1
            58   51  52 1
            59   51  53 2
BRACKET     1    20.2300  -20.6500   20.2300  -15.7500
            1    31.1500  -15.7500   31.1500  -20.6500
            1  2
 ORIGINAL  1   35  36  39  43  46  47  44  40  37  41  45  42  38
 REPEAT    1   48  49  50  51  52  53  54  55  56  57  58  59  60

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