KEGG   DRUG: Thioctic acidHelp
Entry
D00086                      Drug                                   

Name
Thioctic acid (JAN);
Thiotomin (TN)
Formula
C8H14O2S2
Exact mass
206.0435
Mol weight
206.3256
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C00725
Therapeutic category: 3999
ATC code: A16AX01
Chemical structure group: DG00146
Product (DG00146): D00086<JP>
Efficacy
Supplement (thioctic acid)
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
   A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
    A16AX Various alimentary tract and metabolism products
     A16AX01 Thioctic acid
      D00086  Thioctic acid (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   399  Miscellaneous
    3999  Others
     D00086  Thioctic acid (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  43 Vitamin containing supplements
   D00086  Thioctic acid (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Thioctic acid
    D00086  Thioctic acid (JAN)
BRITE hierarchy
Other DBs
CAS: 62-46-4
PubChem: 7847154
ChEBI: 16494
ChEMBL: CHEMBL33864
DrugBank: DB00166
LigandBox: D00086
NIKKAJI: J38.321J
LinkDB All DBs
KCF data Show

ATOM        12
            1   S3x S    26.6107  -18.0677
            2   S3x S    25.2097  -18.0677
            3   C1x C    24.7769  -19.4001
            4   C1x C    25.9102  -20.2236
            5   C1y C    27.0436  -19.4001
            6   C1b C    28.2443  -20.0991
            7   C1b C    29.4576  -19.3986
            8   C1b C    30.6708  -20.0991
            9   C1b C    31.8840  -19.3986
            10  C6a C    33.0974  -20.0991
            11  O6a O    34.3106  -19.3986
            12  O6a O    33.0974  -21.5002
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 2

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