KEGG   DRUG: 1,4-Dimethyl-7-isopropylazuleneHelp
Entry
D01037                      Drug                                   

Name
1,4-Dimethyl-7-isopropylazulene (JAN);
Guaiazulene;
Azunol (TN)
Formula
C15H18
Exact mass
198.1409
Mol weight
198.3034
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Gastrointestinal agent
 DG01975  Agents for peptic ulcer
Remark
Same as: C09675
Therapeutic category: 2649
ATC code: S01XA01
Chemical structure group: DG01149
Product (DG01149): D01037<JP> D02075<JP> D02706<JP>
Efficacy
Anti-inflammatory
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA01 Guaiazulen
      D01037  1,4-Dimethyl-7-isopropylazulene (JAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  26  Epidermides
   264  Analgesics, anti-itchings, astringents, anti-inflammatory agents
    2649  Others
     D01037  1,4-Dimethyl-7-isopropylazulene (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for  urogenital organs and anus
  30 Hemorrhoid drugs for external use
   D01037  1,4-Dimethyl-7-isopropylazulene (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   1,4-Dimethyl-7-isopropylazulene
    D01037  1,4-Dimethyl-7-isopropylazulene (JAN)
   1,4-Dimethyl-7-isopropylazulene
    D01037  1,4-Dimethyl-7-isopropylazulene (JAN)
BRITE hierarchy
Other DBs
CAS: 489-84-9
PubChem: 7848100
ChEBI: 5550
ChEMBL: CHEMBL1408759
LigandBox: D01037
NIKKAJI: J11.635A
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8y C    25.2642  -11.6451
            2   C8y C    24.4107  -10.5073
            3   C8y C    24.7663   -9.1559
            4   C8x C    26.0466   -8.5158
            5   C8x C    26.6867  -11.6451
            6   C8y C    27.2557   -9.1559
            7   C8x C    27.5401  -10.5785
            8   C8y C    23.5909   -8.4002
            9   C8x C    22.5089   -9.2844
            10  C8x C    23.0155  -10.5156
            11  C1a C    24.5621  -12.8613
            12  C1a C    23.5797   -6.9751
            13  C1c C    28.3884   -8.3115
            14  C1a C    29.5849   -9.0331
            15  C1a C    28.4136   -6.9016
BOND        16
            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    8  12 1
            14    6  13 1
            15   13  14 1
            16   13  15 1

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