KEGG   DRUG: Sodium gualenate hydrate
Entry
D02706                      Drug                                   
Name
Sodium gualenate hydrate (JAN);
Azulene sulfonate sodium hydrate;
Sodium guaiazulene sulfonate;
Azunol (TN)
Formula
C15H17O3S. Na. H2O
Exact mass
318.0902
Mol weight
318.3637
Structure
Simcomp
Class
Anti-inflammatory
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
  DG02008  Gastric mucosal protectant
Remark
Therapeutic category: 1319 2260 2323 2399
ATC code: S01XA01
Chemical structure group: DG01149
Product (DG01149): D01037<JP> D02075<JP> D02706<JP>
Product (mixture): D04344<JP> D04363<JP>
Efficacy
Anti-inflammatory, Anti-ulcerative
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
      D02706  Sodium gualenate hydrate (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D02706  Sodium gualenate hydrate (JAN)
 2  Agents affecting individual organs
  22  Respiratory organ agents
   226  Gargles
    2260  Gargles
     D02706  Sodium gualenate hydrate (JAN)
  23  Digestive organ agents
   232  Peptic ulcer agents
    2323  Azulenes
     D02706  Sodium gualenate hydrate (JAN)
   239  Miscellaneous
    2399  Others
     D02706  Sodium gualenate hydrate (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  10 Antacids
   D02706  Sodium gualenate hydrate (JAN)
 Agents for respiratory organs
  27 Gargles
   D02706  Sodium gualenate hydrate (JAN)
 Agents for ophthalmologic use
  62 General eye drops
   D02706  Sodium gualenate hydrate (JAN)
 Agents for dental and stomatological use
  73 Stomatologic and laryngologic remedies (incl. toche without claims for cough and phlegm)
   D02706  Sodium gualenate hydrate (JAN)
  74 Stomatitis remedies
   D02706  Sodium gualenate hydrate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Sodium gualenate hydrate
    D02706  Sodium gualenate hydrate (JAN)
   Sodium gualenate
    D02706  Sodium gualenate hydrate (JAN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   DG01149  Guaiazulen
    D02706  Sodium gualenate hydrate
 Gastrointestinal agent
  DG01975  Agents for peptic ulcer
   DG02008  Gastric mucosal protectant
    D02706  Sodium gualenate hydrate
   DG01149  Guaiazulen
    D02706  Sodium gualenate hydrate
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
   D02706  Sodium gualenate hydrate
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: 116277-75-9
PubChem: 17396873
LigandBox: D02706
LinkDB
KCF data

ATOM        21
            1   O0  O    38.3810  -18.1981
            2   C8y C    31.5642  -18.9251
            3   C8y C    30.7107  -17.7872
            4   C8y C    31.0663  -16.4358
            5   C8x C    32.3466  -15.7957
            6   C8x C    32.9867  -18.9251
            7   C8y C    33.5557  -16.4358
            8   C8x C    33.8401  -17.8584
            9   C8y C    29.8909  -15.6801
            10  C8x C    28.8089  -16.5643
            11  C8y C    29.3155  -17.7955
            12  C1a C    30.8621  -20.1413
            13  S4a S    28.5632  -18.9263
            14  O1d O    27.8611  -20.1424 #-
            15  O1d O    27.3921  -18.2001
            16  O1d O    29.7786  -19.6801
            17  C1a C    29.8797  -14.2551
            18  C1c C    34.6884  -15.5914
            19  C1a C    35.8849  -16.3130
            20  C1a C    34.7136  -14.1816
            21  Z   Na   25.7673  -20.0789 #+
BOND        20
            1     4   5 2
            2     2   6 2
            3     5   7 1
            4     3   4 1
            5     6   8 1
            6     2   3 1
            7     7   8 2
            8     4   9 1
            9     9  10 2
            10   10  11 1
            11    3  11 2
            12    2  12 1
            13   11  13 1
            14   13  14 1
            15   13  15 2
            16   13  16 2
            17    9  17 1
            18    7  18 1
            19   18  19 1
            20   18  20 1

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