KEGG   DRUG: Ibuprofen sodium
Entry
D08059                      Drug                                   

Name
Ibuprofen sodium;
Ibuprofen sodium anhydrous;
Esprenit (TN)
Formula
C13H17O2. Na
Exact mass
228.1126
Mol weight
228.2626
Structure
Simcomp
Class
Anti-inflammatory
 DG01908  Anti-inflammatory drug, propionic acid derivatives
 DG01504  Nonsteroidal anti-inflammatory drug (NSAID)
  DG01908  Anti-inflammatory drug, propionic acid derivatives
Metabolizing enzyme substrate
 DG01642  CYP2C9 substrate
Remark
ATC code: C01EB16 G02CC01 M01AE01 M02AA13 R02AX02
Chemical structure group: DG00245
Product (DG00245): D00126<JP/US> D01122<JP> D06606<JP/US>
Product (mixture): D11573<US>
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX inhibitor
Comment
Propionic acid derivative
Target
PTGS1 (COX1) [HSA:5742] [KO:K00509]
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Metabolism
Enzyme: CYP2C9 [HSA:1559]
Interaction
Structure map
map07048  Antimigraines
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB16 Ibuprofen
      D08059  Ibuprofen sodium
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CC Antiinflammatory products for vaginal administration
     G02CC01 Ibuprofen
      D08059  Ibuprofen sodium
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AE Propionic acid derivatives
     M01AE01 Ibuprofen
      D08059  Ibuprofen sodium
  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
      D08059  Ibuprofen sodium
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AX Other throat preparetions
     R02AX02 Ibuprofen
      D08059  Ibuprofen sodium
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS1 (COX1)
     D08059  Ibuprofen sodium
    PTGS2 (COX2)
     D08059  Ibuprofen sodium
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08059
Other DBs
CAS: 31121-93-4
PubChem: 96024751
ChEMBL: CHEMBL1241153
LigandBox: D08059
NIKKAJI: J27.647B
LinkDB
KCF data

ATOM        16
            1   O6a O    28.9800  -17.2200 #-
            2   C6a C    27.7900  -17.9200
            3   C1c C    26.6000  -17.2200
            4   O6a O    27.7900  -19.3200
            5   C8y C    25.4100  -17.9200
            6   C8x C    24.1500  -17.2200
            7   C8x C    22.9600  -17.9200
            8   C8y C    22.9600  -19.3200
            9   C8x C    24.1500  -20.0200
            10  C8x C    25.4100  -19.3200
            11  C1b C    21.7700  -20.0200
            12  C1c C    20.5100  -19.3200
            13  C1a C    19.3200  -20.0200
            14  C1a C    20.5100  -17.9200
            15  C1a C    26.6000  -15.8200
            16  Z   Na   31.7800  -18.6200 #+
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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