KEGG   DRUG: Triclosan
Entry
D06226                      Drug                                   
Name
Triclosan (USP/INN);
Stri-Dex cleansing bar (TN)
Formula
C12H7Cl3O2
Exact mass
287.9512
Mol weight
289.5418
Structure
Simcomp
Remark
Same as: C12059
ATC code: D08AE04 D09AA06
Efficacy
Disinfectant
Comment
Component of Colgatetotal (TN)
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)
  D09 MEDICATED DRESSINGS
   D09A MEDICATED DRESSINGS
    D09AA Medicated dressings with antiinfectives
     D09AA06 Triclosan
      D06226  Triclosan (USP/INN)
Rx-to-OTC switch list in the USA [br08315.html]
 D06226
Other DBs
CAS: 3380-34-5
PubChem: 47207884
ChEBI: 164200
PDB-CCD: TCL[PDBj]
LigandBox: D06226
NIKKAJI: J7.727E
KCF data

ATOM        17
            1   C8x C    11.5500  -15.4000
            2   C8y C    11.5500  -16.8000
            3   C8x C    12.7624  -17.5000
            4   C8x C    13.9749  -16.8000
            5   C8y C    13.9749  -15.4000
            6   C8y C    12.7624  -14.7000
            7   C8x C    16.3997  -16.8000
            8   C8y C    16.3997  -15.4000
            9   O2a O    15.1873  -14.7000
            10  C8x C    17.6122  -17.5000
            11  C8y C    18.8246  -16.8000
            12  C8x C    18.8246  -15.4000
            13  C8y C    17.6122  -14.7000
            14  X   Cl   12.7624  -13.3002
            15  X   Cl   10.3376  -17.5000
            16  O1a O    17.6122  -13.3003
            17  X   Cl   20.0411  -17.5023
BOND        18
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    6  14 1
            16    2  15 1
            17   13  16 1
            18   11  17 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   LigandBox (1)   
Chemical substance (6)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (9)   

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