KEGG   COMPOUND: C06902Help
Entry
C06902                      Compound                               

Name
Chlorhexidine
Formula
C22H30Cl2N10
Exact mass
504.2032
Mol weight
505.4466
Structure
Mol fileKCF fileDB search
Remark
Same as: D07668
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
      D07668  Chlorhexidine (INN)
 B BLOOD AND BLOOD FORMING ORGANS
  B05 BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
   B05C IRRIGATING SOLUTIONS
    B05CA Antiinfectives
     B05CA02 Chlorhexidine
      D07668  Chlorhexidine (INN)
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AC Biguanides and amidines
     D08AC02 Chlorhexidine
      D07668  Chlorhexidine (INN)
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA12 Chlorhexidine
      D07668  Chlorhexidine (INN)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA05 Chlorhexidine
      D07668  Chlorhexidine (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AX Other antiinfectives
     S01AX09 Chlorhexidine
      D07668  Chlorhexidine (INN)
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA09 Chlorhexidine
      D07668  Chlorhexidine (INN)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA04 Chlorhexidine
      D07668  Chlorhexidine (INN)
USP drug classification [BR:br08302]
 Dental and Oral Agents
  Chlorhexidine
   D07668  Chlorhexidine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Chlorhexidine
    D07668  Chlorhexidine (INN)
BRITE hierarchy
Other DBs
CAS: 55-56-1
PubChem: 9119
ChEBI: 3614
ChEMBL: CHEMBL790
NIKKAJI: J4.561F
LinkDB All DBs
KCF data Show

ATOM        34
            1   C8y C    16.7754  -15.6229
            2   N1b N    17.9904  -16.3128
            3   C8x C    15.5683  -16.3205
            4   C8x C    16.7754  -14.2200
            5   C2c C    19.1973  -15.6152
            6   C8x C    14.3534  -15.6229
            7   C8x C    15.5683  -13.5145
            8   N1b N    20.4122  -16.3128
            9   N2a N    19.1973  -14.2200
            10  C8y C    14.3534  -14.2200
            11  C2c C    21.6269  -15.6152
            12  X   Cl   13.1387  -13.5145
            13  N1b N    22.8418  -16.3128
            14  N2a N    21.6269  -14.2121
            15  C1b C    24.0567  -15.6152
            16  C1b C    25.2716  -16.3128
            17  C1b C    26.4865  -15.6152
            18  C1b C    27.7014  -16.3128
            19  C1b C    28.9084  -15.6152
            20  C1b C    30.1233  -16.3048
            21  N1b N    31.3382  -15.6072
            22  C2c C    32.5531  -16.3048
            23  N1b N    33.7678  -15.6072
            24  N2a N    32.5531  -17.7079
            25  C2c C    34.9827  -16.3048
            26  N1b N    36.1976  -15.6072
            27  N2a N    34.9827  -17.7079
            28  C8y C    37.4046  -16.3048
            29  C8x C    37.3968  -17.7000
            30  C8x C    38.6117  -15.5995
            31  C8x C    38.6117  -18.3975
            32  C8x C    39.8266  -16.2971
            33  C8y C    39.8266  -17.6922
            34  X   Cl   41.0413  -18.3975
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

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