KEGG   DRUG: Chlorhexidine acetate
Entry
D07669                      Drug                                   

Name
Chlorhexidine acetate (USP);
Chlorhexidine diacetate;
Nolvasan (TN)
Formula
C22H30Cl2N10. (C2H4O2)2
Exact mass
624.2455
Mol weight
625.5505
Structure
Simcomp
Remark
Same as: C18372
ATC code: A01AB03 B05CA02 D08AC02 D09AA12 R02AA05 S01AX09 S02AA09 S03AA04
Chemical structure group: DG00001
Product (DG00001): D00858<JP/US>
Efficacy
Antiseptic, 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
      D07669  Chlorhexidine acetate (USP)
 B BLOOD AND BLOOD FORMING ORGANS
  B05 BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS
   B05C IRRIGATING SOLUTIONS
    B05CA Antiinfectives
     B05CA02 Chlorhexidine
      D07669  Chlorhexidine acetate (USP)
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AC Biguanides and amidines
     D08AC02 Chlorhexidine
      D07669  Chlorhexidine acetate (USP)
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA12 Chlorhexidine
      D07669  Chlorhexidine acetate (USP)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA05 Chlorhexidine
      D07669  Chlorhexidine acetate (USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AX Other antiinfectives
     S01AX09 Chlorhexidine
      D07669  Chlorhexidine acetate (USP)
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA09 Chlorhexidine
      D07669  Chlorhexidine acetate (USP)
  S03 OPHTHALMOLOGICAL AND OTOLOGICAL PREPARATIONS
   S03A ANTIINFECTIVES
    S03AA Antiinfectives
     S03AA04 Chlorhexidine
      D07669  Chlorhexidine acetate (USP)
Other DBs
CAS: 56-95-1
PubChem: 51091971
ChEBI: 81711
ChEMBL: CHEMBL486819
LigandBox: D07669
NIKKAJI: J231.284K
LinkDB
KCF data

ATOM        42
            1   C8y C    16.0337  -20.5147
            2   N1b N    17.2240  -21.2149
            3   C8x C    14.7733  -21.2149
            4   C8x C    16.0337  -19.1143
            5   C2c C    18.4143  -20.5147
            6   C8x C    13.5830  -20.5147
            7   C8x C    14.7733  -18.4141
            8   N1b N    19.6747  -21.2149
            9   N2a N    18.4143  -19.1143
            10  C8y C    13.5830  -19.1143
            11  C2c C    20.8650  -20.5147
            12  X   Cl   12.3927  -18.4141
            13  N1b N    22.0553  -21.2149
            14  N2a N    20.8650  -19.1143
            15  C1b C    23.3156  -20.5147
            16  C1b C    24.5059  -21.2149
            17  C1b C    25.6963  -20.5147
            18  C1b C    26.9566  -21.2149
            19  C1b C    28.1469  -20.5147
            20  C1b C    29.3372  -21.2149
            21  N1b N    30.5976  -20.5147
            22  C2c C    31.7879  -21.2149
            23  N1b N    32.9782  -20.5147
            24  N2a N    31.7879  -22.6152
            25  C2c C    34.2385  -21.2149
            26  N1b N    35.4288  -20.5147
            27  N2a N    34.2385  -22.6152
            28  C8y C    36.6192  -21.2149
            29  C8x C    36.6192  -22.6152
            30  C8x C    37.8795  -20.5147
            31  C8x C    37.8795  -23.3154
            32  C8x C    39.0698  -21.2149
            33  C8y C    39.0698  -22.6152
            34  X   Cl   40.2601  -23.3154
            35  C6a C    45.5075  -21.9132
            36  C1a C    46.6979  -22.6134
            37  O6a O    44.3172  -22.6134
            38  O6a O    45.5075  -20.5128
            39  C6a C    45.5075  -21.9132
            40  C1a C    46.6979  -22.6134
            41  O6a O    44.3172  -22.6134
            42  O6a O    45.5075  -20.5128
BOND        41
            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 2
            39   39  40 1
            40   39  41 1
            41   39  42 2
BRACKET     1    42.6300  -23.5200   42.6300  -19.6000
            1    48.6500  -19.6000   48.6500  -23.5200
            1  2
 ORIGINAL  1   35  36  37  38
 REPEAT    1   39  40  41  42

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