KEGG   DRUG: Sodium gualenate
Entry
D02075                      Drug                                   
Name
Sodium gualenate (INN);
Sodium guaiazulenesulfonate;
Azunol ST (TN)
Formula
C15H17O3S. Na
Exact mass
300.0796
Mol weight
300.35
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
Remark
Therapeutic category: 2260
ATC code: S01XA01
Chemical structure group: DG01149
Product (DG01149): D01037<JP> D02706<JP>
Efficacy
Anti-inflammatory
Interaction
Structure map
map07038  Antiulcer drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA01 Guaiazulen
      D02075  Sodium gualenate (INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   226  Gargles
    2260  Gargles
     D02075  Sodium gualenate (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Sodium gualenate
    D02075  Sodium gualenate (INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01149  Guaiazulen
    D02075  Sodium gualenate
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01149  Guaiazulen
    D02075  Sodium gualenate
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D02075  Sodium gualenate
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01149  Guaiazulen
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG01149  Guaiazulen
Other DBs
CAS: 6223-35-4
PubChem: 7849137
LigandBox: D02075
NIKKAJI: J126.284J
LinkDB
KCF data

ATOM        20
            1   C8y C    16.4443  -13.3952
            2   C8y C    15.5908  -12.2573
            3   C8y C    15.9464  -10.9059
            4   C8x C    17.2267  -10.2658
            5   C8x C    17.8668  -13.3952
            6   C8y C    18.4358  -10.9059
            7   C8x C    18.7202  -12.3285
            8   C8y C    14.7710  -10.1502
            9   C8x C    13.6890  -11.0344
            10  C8y C    14.1956  -12.2656
            11  C1a C    15.7422  -14.6114
            12  S4a S    13.4433  -13.3964
            13  O1d O    12.7412  -14.6125 #-
            14  O1d O    12.2722  -12.6702
            15  O1d O    14.6587  -14.1502
            16  C1a C    14.7598   -8.7251
            17  C1c C    19.5685  -10.0615
            18  C1a C    20.7650  -10.7831
            19  C1a C    19.5937   -8.6516
            20  Z   Na   10.6474  -14.5490 #+
BOND        20
            1     3   4 2
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 2
            8     3   8 1
            9     8   9 2
            10    9  10 1
            11    2  10 2
            12    1  11 1
            13   10  12 1
            14   12  13 1
            15   12  14 2
            16   12  15 2
            17    8  16 1
            18    6  17 1
            19   17  18 1
            20   17  19 1

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