KEGG   COMPOUND: C18372
Entry
C18372                      Compound                               

Name
Chlorhexidine acetate
Formula
C22H30Cl2N10. (C2H4O2)2
Exact mass
624.2455
Mol weight
625.5505
Structure
Remark
Same as: D07669
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)
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  956  Bath and disinfectants preparations
   9562  Disinfectants preparations
    C18372  Chlorhexidine acetate
 99  Agents for not mainly purpose of therapeutic
  992  Amphoteric soap and preparations
   9929  Other agents for disinfections
    C18372  Chlorhexidine acetate
Other DBs
CAS: 56-95-1
PubChem: 124489046
ChEBI: 81711
ChEMBL: CHEMBL486819
LinkDB
KCF data

ATOM        42
            1   C8y C    10.4300  -19.6700
            2   N1b N    11.6200  -20.3700
            3   C8x C     9.1700  -20.3700
            4   C8x C    10.4300  -18.2700
            5   C2c C    12.8100  -19.6700
            6   C8x C     7.9800  -19.6700
            7   C8x C     9.1700  -17.5700
            8   N1b N    14.0700  -20.3700
            9   N2a N    12.8100  -18.2700
            10  C8y C     7.9800  -18.2700
            11  C2c C    15.2600  -19.6700
            12  X   Cl    6.7900  -17.5700
            13  N1b N    16.4500  -20.3700
            14  N2a N    15.2600  -18.2700
            15  C1b C    17.7100  -19.6700
            16  C1b C    18.9000  -20.3700
            17  C1b C    20.0900  -19.6700
            18  C1b C    21.3500  -20.3700
            19  C1b C    22.5400  -19.6700
            20  C1b C    23.7300  -20.3700
            21  N1b N    24.9900  -19.6700
            22  C2c C    26.1800  -20.3700
            23  N1b N    27.3700  -19.6700
            24  N2a N    26.1800  -21.7700
            25  C2c C    28.6300  -20.3700
            26  N1b N    29.8200  -19.6700
            27  N2a N    28.6300  -21.7700
            28  C8y C    31.0100  -20.3700
            29  C8x C    31.0100  -21.7700
            30  C8x C    32.2700  -19.6700
            31  C8x C    32.2700  -22.4700
            32  C8x C    33.4600  -20.3700
            33  C8y C    33.4600  -21.7700
            34  X   Cl   34.6500  -22.4700
            35  C6a C    39.9000  -21.0700
            36  C1a C    41.0900  -21.7700
            37  O6a O    38.7100  -21.7700
            38  O6a O    39.9000  -19.6700
            39  C6a C    39.9000  -21.0700
            40  C1a C    41.0900  -21.7700
            41  O6a O    38.7100  -21.7700
            42  O6a O    39.9000  -19.6700
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    37.0300  -22.6800   37.0300  -18.7600
            1    43.0500  -18.7600   43.0500  -22.6800
            1  2
 ORIGINAL  1   35  36  37  38
 REPEAT    1   39  40  41  42

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