KEGG   DRUG: Thymol
Entry
D01039                      Drug                                   
Name
Thymol (JP18/NF);
Thymol (TN)
Formula
C10H14O
Exact mass
150.1045
Mol weight
150.22
Structure
Simcomp
Remark
Same as: C09908
Therapeutic category: 7319
Product: D01039<JP>
Efficacy
Anthelmintic, Pharmaceutic aid (stabilizer)
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 7  Agents not mainly for therapeutic purpose
  73  Public health agents
   731  Antiseptics
    7319  Others
     D01039  Thymol (JP18/NF)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Thymol
    D01039  Thymol (JP18/NF)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01039  Thymol
Other DBs
CAS: 89-83-8
PubChem: 7848102
ChEBI: 27607
PDB-CCD: IPB[PDBj]
LigandBox: D01039
NIKKAJI: J10.606B
KCF data

ATOM        11
            1   C8y C    24.3488  -18.9804
            2   C8y C    25.5597  -18.2760
            3   C8x C    23.1320  -18.2760
            4   C1c C    24.3546  -20.3777
            5   C8x C    25.5597  -16.8728
            6   O1a O    26.7649  -18.9747
            7   C8x C    23.1320  -16.8728
            8   C1a C    23.1378  -21.0763
            9   C1a C    25.5656  -21.0704
            10  C8y C    24.3488  -16.1801
            11  C1a C    24.3546  -14.7771
BOND        11
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10   10  11 1
            11    7  10 2

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  All links  
Drug (1)   
   LigandBox (1)   
Chemical substance (9)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   MASSBANK (2)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (10)   

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