KEGG   COMPOUND: C01588Help
Entry
C01588                      Compound                               

Name
Ibuprofen
Formula
C13H18O2
Exact mass
206.1307
Mol weight
206.2808
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D00126  Ibuprofen (JP17/USP/INN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D00126  Ibuprofen (JP17/USP/INN)
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D00126  Ibuprofen (JP17/USP/INN)
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA13 Ibuprofen
      D00126  Ibuprofen (JP17/USP/INN)
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparetions
     R02AX02 Ibuprofen
      D00126  Ibuprofen (JP17/USP/INN)
USP drug classification [BR:br08302]
 Analgesics
  Nonsteroidal Anti-inflammatory Drugs
   Ibuprofen
    D00126  Ibuprofen (JP16/USP/INN)
 Anti-inflammatory Agents
  Nonsteroidal Anti-inflammatory Drugs
   Ibuprofen
    D00126  Ibuprofen (JP16/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   114  Antipyretics and analgesics, anti-inflammatory agents
    1149  Others
     D00126  Ibuprofen (JP17/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for nervous and sensory systems
  01 Cold remedy (oral use)
   D00126  Ibuprofen (JP17/USP/INN)
  03 Antipyretic analgesic agents
   D00126  Ibuprofen (JP17/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 First-class OTC drugs
  Inorganic and organic chemicals
   Ibuprofen
    D00126  Ibuprofen (JP17/USP/INN)
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Ibuprofen
    D00126  Ibuprofen (JP17/USP/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ibuprofen
    D00126  Ibuprofen (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases
   cyclooxygenase-1 (COX-1)
    Ibuprofen
     D00126  Ibuprofen (JP17/USP/INN)
   cyclooxygenase-2 (COX-2)
    Ibuprofen
     D00126  Ibuprofen (JP17/USP/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP2C9
   Ibuprofen
    D00126  Ibuprofen (JP17/USP/INN)
 Transporter inhibitors
  OAT2
   Ibuprofen
    D00126  Ibuprofen (JP17/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00126  Ibuprofen
Antirheumatic and antigout drugs [br08366.html]
 Antirheumatic drugs
  D00126
Anesthetics and analgesics [br08369.html]
 Analgesics
  D00126
Rx-to-OTC switch list in the USA [br08315.html]
 D00126
Rx-to-OTC switch list in Japan [br08314.html]
 D00126
BRITE hierarchy
Other DBs
CAS: 
15687-27-1
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        15
            1   O6a O    26.6332  -16.3239
            2   C6a C    25.4211  -17.0246
            3   C1c C    24.2081  -16.3251
            4   O6a O    25.4217  -18.4247
            5   C8y C    22.9960  -17.0258
            6   C8x C    21.7888  -16.3235
            7   C8x C    20.5768  -17.0243
            8   C8y C    20.5774  -18.4244
            9   C8x C    21.7903  -19.1237
            10  C8x C    23.0023  -18.4229
            11  C1b C    19.3652  -19.1249
            12  C1c C    18.1523  -18.4256
            13  C1a C    16.9402  -19.1262
            14  C1a C    18.1516  -17.0255
            15  C1a C    24.2073  -14.9197
BOND        15
            1     2   4 2
            2     3   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   9 1
            7     9  10 2
            8    10   5 1
            9     8  11 1
            10    1   2 1
            11   11  12 1
            12   12  13 1
            13    2   3 1
            14   12  14 1
            15    3  15 1

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