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Also known as: 31121-93-4, Ibuprofen sodium salt, Sodium ibuprofen, Sodium 2-(4-isobutylphenyl)propionate, Sodium 2-[4-(2-methylpropyl)phenyl]propanoate, Ibuprofen sodium anhydrous
Molecular Formula
C13H17NaO2
Molecular Weight
228.26  g/mol
InChI Key
PTTPUWGBPLLBKW-UHFFFAOYSA-M
FDA UNII
O0PJ4UZ01U

Ibuprofen Sodium
Ibuprofen Sodium is the sodium salt form of ibuprofen, a propionic acid derivate and nonsteroidal anti-inflammatory drug (NSAID) with anti-inflammatory, analgesic, and antipyretic activities. Upon administration, ibuprofen inhibits the activity of cyclo-oxygenase I and II, resulting in a decreased formation of precursors of prostaglandins and thromboxanes. This leads to decreased prostaglandin synthesis, by prostaglandin synthase, the main physiologic effect of ibuprofen. Ibuprofen also causes a decrease in the formation of thromboxane A2 synthesis, by thromboxane synthase, thereby inhibiting platelet aggregation.
1 2D Structure

Ibuprofen Sodium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-[4-(2-methylpropyl)phenyl]propanoate
2.1.2 InChI
InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
2.1.3 InChI Key
PTTPUWGBPLLBKW-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
O0PJ4UZ01U
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 31121-93-4

2. Ibuprofen Sodium Salt

3. Sodium Ibuprofen

4. Sodium 2-(4-isobutylphenyl)propionate

5. Sodium 2-[4-(2-methylpropyl)phenyl]propanoate

6. Ibuprofen Sodium Anhydrous

7. P-isobutylhydratropic Acid Sodium Salt

8. Sodium 2-(4-isobutylphenyl)propanoate

9. Ibuprofen (sodium)

10. Sodium;2-[4-(2-methylpropyl)phenyl]propanoate

11. O0pj4uz01u

12. Ibuprofensodiumsalt

13. Einecs 250-477-6

14. Unii-o0pj4uz01u

15. Esprenit (tn)

16. Sodium Ibuprofen Salt

17. Hydratropic Acid, P-isobutyl-, Sodium Salt

18. Benzeneacetic Acid, Alpha-methyl-4-(2-methylpropyl)-, Sodium Salt

19. Schembl139269

20. Chembl1241153

21. Dtxsid4040501

22. Smsf0005424

23. Hy-78131c

24. Sodium2-(4-isobutylphenyl)propanoate

25. Akos015994627

26. Cb08098

27. Hs-0087

28. Sodium 2-(4'-isobutylphenyl)propionate

29. 5264-06-2

30. Bim-0005680.p001

31. Cs-0031024

32. 2-(p-isobutylphenyl)propionic Acid Sodium Salt

33. D08059

34. ((c)i)-ibuprofen-d3, Sodium Salt (

35. A-methyl-d3)

36. W-110791

37. Q27285172

38. Benzeneacetic Acid, .alpha.-methyl-4-(2-methylpropyl)-, Sodium Salt (1:1)

39. Benzeneacetic Acid, .alpha.-methyl-4-(2-methylpropyl)-,sodium Salt

2.4 Create Date
2006-02-02
3 Chemical and Physical Properties
Molecular Weight 228.26 g/mol
Molecular Formula C13H17NaO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass228.11262406 g/mol
Monoisotopic Mass228.11262406 g/mol
Topological Polar Surface Area40.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity208
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 FDA Pharmacological Classification
4.1.1 Pharmacological Classes
Cyclooxygenase Inhibitors [MoA]; Nonsteroidal Anti-inflammatory Drug [EPC]; Anti-Inflammatory Agents, Non-Steroidal [CS]

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30-Jan-2021
28-Oct-2024
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