KEGG   COMPOUND: C07967
Entry
C07967                      Compound                               
Name
Bithionol
Formula
C12H6Cl4O2S
Exact mass
353.8843
Mol weight
356.05
Structure
Remark
Same as: D00802
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AB Preparations containing sulfur
     D10AB01 Bithionol
      D00802  Bithionol (JAN/INN)
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P02 ANTHELMINTICS
   P02B ANTITREMATODALS
    P02BX Other antitrematodal agents
     P02BX01 Bithionol
      D00802  Bithionol (JAN/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Bithionol
    D00802  Bithionol (JAN/INN)
Antimicrobials [BR:br08307]
 Antiparasitics
  Antitrematodal agents
   Others
    D00802  Bithionol (JAN/INN)
Other DBs
CAS: 97-18-7
PubChem: 10168
ChEBI: 3131
PDB-CCD: B1T[PDBj]
NIKKAJI: J4.438E
KCF data

ATOM        19
            1   C8y C    23.9182  -14.7799
            2   S2a S    25.1300  -14.0834
            3   C8y C    22.7124  -14.0774
            4   C8x C    23.9182  -16.1791
            5   C8y C    26.3418  -14.7799
            6   C8y C    21.4947  -14.7799
            7   O1a O    22.7124  -12.6784
            8   C8y C    22.7124  -16.8816
            9   C8y C    27.5535  -14.0834
            10  C8x C    26.3358  -16.1791
            11  C8x C    21.4947  -16.1791
            12  X   Cl   20.2829  -14.0774
            13  X   Cl   22.7124  -18.2806
            14  C8y C    28.7653  -14.7799
            15  O1a O    27.5535  -12.6784
            16  C8y C    27.5476  -16.8816
            17  C8x C    28.7653  -16.1849
            18  X   Cl   29.9771  -14.0834
            19  X   Cl   27.5476  -18.2806
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    6  12 1
            12    8  13 1
            13    9  14 2
            14    9  15 1
            15   10  16 1
            16   14  17 1
            17   14  18 1
            18   16  19 1
            19    8  11 1
            20   16  17 2

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HSDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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