KEGG   DRUG: Thioctic acid amide
Entry
D00048                      Drug                                   

Name
Thioctic acid amide (JAN);
Lipoamide
Formula
C8H15NOS2
Exact mass
205.0595
Mol weight
205.3408
Structure
Simcomp
Remark
Same as: C00248
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
      D00048  Thioctic acid amide (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Thioctic acid amide
    D00048  Thioctic acid amide (JAN)
Other DBs
CAS: 940-69-2
PubChem: 7847116
ChEBI: 17460
ChEMBL: CHEMBL1403899
DrugBank: DB00166
LigandBox: D00048
NIKKAJI: J25.390A
KCF data

ATOM        12
            1   S3x S    25.4906   -5.9577
            2   S3x S    24.0896   -5.9577
            3   C1x C    23.6568   -7.2901
            4   C1x C    24.7901   -8.1136
            5   C1y C    25.9235   -7.2901
            6   C1b C    27.1242   -7.9891
            7   C1b C    28.3375   -7.2886
            8   C1b C    29.5507   -7.9891
            9   C1b C    30.7639   -7.2886
            10  C5a C    31.9773   -7.9891
            11  N1a N    33.1905   -7.2886
            12  O5a O    31.9773   -9.3902
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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