KEGG   DRUG: Triclocarban
Entry
D06223                      Drug                                   
Name
Triclocarban (USP/INN);
Trichlorocarbanilide
Formula
C13H9Cl3N2O
Exact mass
313.978
Mol weight
315.5824
Structure
Efficacy
Disinfectant
Brite
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  54 Disinfectants (incl. special bandages)
   D06223  Triclocarban (USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Triclocarban
    D06223  Triclocarban (USP/INN)
Other DBs
CAS: 101-20-2
PubChem: 47207881
ChEBI: 48347
PDB-CCD: 9EG[PDBj]
LigandBox: D06223
NIKKAJI: J60.108J
KCF data

ATOM        19
            1   C8y C    12.8100  -19.5300
            2   C8x C    12.8100  -18.1300
            3   C8x C    14.0000  -17.4300
            4   C8y C    15.2600  -18.1300
            5   C8x C    15.2600  -19.5300
            6   C8x C    14.0000  -20.2300
            7   X   Cl   11.6200  -20.2300
            8   N1b N    16.4500  -17.4300
            9   C5a C    17.6400  -18.1300
            10  N1b N    18.8300  -17.4300
            11  O5a O    17.6400  -19.5300
            12  C8y C    20.0481  -18.1201
            13  C8x C    19.9897  -19.5294
            14  C8x C    21.2779  -20.2194
            15  C8y C    22.4845  -19.5094
            16  C8y C    22.4729  -18.1001
            17  C8x C    21.2547  -17.4101
            18  X   Cl   23.7003  -20.1981
            19  X   Cl   23.6643  -17.3994
BOND        20
            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     1   7 1
            8     4   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 2
            12   10  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   12  17 1
            19   15  18 1
            20   16  19 1

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Ontology (2)   
   KEGG BRITE (2)   
Drug (1)   
   LigandBox (1)   
Chemical substance (9)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   MASSBANK (4)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (12)   

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