KEGG   COMPOUND: C12059Help
Entry
C12059                      Compound                               

Name
Triclosan
Formula
C12H7Cl3O2
Exact mass
287.9512
Mol weight
289.5418
Structure
Mol fileKCF fileDB search
Remark
Same as: D06226
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AE Phenol and derivatives
     D08AE04 Triclosan
      D06226  Triclosan (USP/INN) <US>
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA06 Triclosan
      D06226  Triclosan (USP/INN) <US>
Rx-to-OTC switch list in the USA [br08315.html]
 D06226
BRITE hierarchy
Other DBs
CAS: 3380-34-5
PubChem: 14214
ChEBI: 164200
ChEMBL: CHEMBL849
PDB-CCD: TCL[PDBj]
NIKKAJI: J7.727E
KCF data Show

ATOM        17
            1   C8x C    21.2800  -17.9200
            2   C8y C    21.2800  -19.3200
            3   C8x C    22.4700  -20.0200
            4   C8x C    23.7300  -19.3200
            5   C8y C    23.7300  -17.9200
            6   C8y C    22.4700  -17.2200
            7   O2a O    24.9200  -17.2200
            8   C8y C    26.1100  -17.9200
            9   C8x C    26.1100  -19.3200
            10  C8x C    27.3000  -20.0200
            11  C8y C    28.5600  -19.3200
            12  C8x C    28.5600  -17.9200
            13  C8y C    27.3000  -17.2200
            14  X   Cl   22.4700  -15.8200
            15  O1a O    27.3000  -15.8200
            16  X   Cl   29.7500  -20.0200
            17  X   Cl   20.0900  -20.0200
BOND        18
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   1 1
            5     8   9 2
            6     9  10 1
            7    10  11 2
            8    11  12 1
            9    12  13 2
            10   13   8 1
            11    7   8 1
            12    6  14 1
            13    5   7 1
            14   13  15 1
            15    1   2 2
            16   11  16 1
            17    2   3 1
            18    2  17 1

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