KEGG   DRUG: Hexachlorophene
Entry
D00859                      Drug                                   
Name
Hexachlorophene (USP/INN);
Phisohex (TN)
Formula
C13H6Cl6O2
Exact mass
403.8499
Mol weight
406.89
Structure
Simcomp
Remark
Same as: C08039
ATC code: D08AE01
Efficacy
Antiseptic, Disinfectant (topical), Detergent
Comment
Phenol derivative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D08 ANTISEPTICS AND DISINFECTANTS
   D08A ANTISEPTICS AND DISINFECTANTS
    D08AE Phenol and derivatives
     D08AE01 Hexachlorophene
      D00859  Hexachlorophene (USP/INN)
Other DBs
CAS: 70-30-4
PubChem: 7847924
ChEBI: 5693
PDB-CCD: H3P[PDBj]
LigandBox: D00859
NIKKAJI: J1.935F
LinkDB
KCF data

ATOM        21
            1   C8y C    15.6800  -16.3800
            2   C8y C    15.6800  -17.7800
            3   C8y C    16.8924  -18.4800
            4   C8x C    18.1049  -17.7800
            5   C8y C    18.1049  -16.3800
            6   C8y C    16.8924  -15.6800
            7   C1b C    13.8376  -15.6800
            8   C8y C    12.0121  -16.3704
            9   C8y C    10.8247  -15.6849
            10  C8y C     9.6123  -16.3850
            11  C8x C     9.6124  -17.7850
            12  C8y C    10.7997  -18.4704
            13  C8y C    12.0121  -17.7704
            14  O1a O    16.8924  -14.2802
            15  X   Cl   19.3360  -15.6690
            16  X   Cl   16.8924  -19.8798
            17  X   Cl   14.4676  -18.4800
            18  O1a O    10.8246  -14.2802
            19  X   Cl    8.3810  -15.6740
            20  X   Cl   10.7999  -19.8799
            21  X   Cl   13.2496  -18.4849
BOND        22
            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     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    6  14 1
            16    5  15 1
            17    3  16 1
            18    2  17 1
            19    9  18 1
            20   10  19 1
            21   12  20 1
            22   13  21 1

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