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Chemistry

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Also known as: 226721-96-6, Loxonin, Oxeno, Lobu, Loxoprofen sodium, Loxoprofen sodium hydrate
Molecular Formula
C15H21NaO5
Molecular Weight
304.31  g/mol
InChI Key
BAZQYVYVKYOAGO-UHFFFAOYSA-M
FDA UNII
Z2DR42L11Y

Loxoprofen Sodium
1 2D Structure

Loxoprofen Sodium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate;dihydrate
2.1.2 InChI
InChI=1S/C15H18O3.Na.2H2O/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;;;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);;2*1H2/q;+1;;/p-1
2.1.3 InChI Key
BAZQYVYVKYOAGO-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].O.O.[Na+]
2.2 Other Identifiers
2.2.1 UNII
Z2DR42L11Y
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 156-s

2. 2-(4-((2-oxocyclopentyl)methyl)phenyl)propionic Acid

3. 2-ocppp

4. Cs 600

5. Cs-600

6. Loxoprofen

7. Loxoprofen Alcohol

8. Loxoprofen Sodium, (r*,s*)-isomer

9. Sodium 2-(4-(2-oxocyclopentylmethyl)phenyl)propionate Dihydrate

10. Sodium Loxoprofen

2.3.2 Depositor-Supplied Synonyms

1. 226721-96-6

2. Loxonin

3. Oxeno

4. Lobu

5. Loxoprofen Sodium

6. Loxoprofen Sodium Hydrate

7. Loxoprofen Sodium Salt Dihydrate

8. 80382-23-6

9. Loxoprofen Sodium [mart.]

10. Loxoprofen Sodium Hydrate [jp]

11. Loxoprofen (monosodium)

12. Lobu; Loxonin;cs 600

13. Sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate;dihydrate

14. Z2dr42l11y

15. Monosodium 2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate Dihydrate

16. Sodium 2-(4-(2-oxocyclopentylmethyl)phenyl)propionate Dihydrate

17. Alpha-methyl-4-((2-oxocyclopentyl)methyl)benzeneacetate Sodium Salt Dihydrate

18. Unii-z2dr42l11y

19. Lorfenamin (tn)

20. Loxonin (tn)

21. Loxoprofensodiumdihydrate

22. Chebi:31786

23. Dtxsid601001203

24. Loxoprofen Sodium Hydrate (jp17)

25. Bja72196

26. Ac-555

27. Mfcd01745788

28. Akos015894920

29. Akos015963323

30. Benzeneacetic Acid, Alpha-methyl-4-((2-oxocyclopentyl)methyl)-, Sodium Salt, Hydrate (1:1:2)

31. (r)-2-chloro-3-methylbutyricacid

32. As-82727

33. Loxoprofen Sodium Dihydrate [who-dd]

34. D01709

35. Q27114685

36. Sodium 2-[4-(2-oxocyclopentylmethyl) Phenyl]-propionate Dihydrate

37. Sodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate--water (1/1/2)

38. Sodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate--water (1/2)

39. Benzeneacetic Acid, .alpha.-methyl-4-((2-oxocyclopentyl)methyl)-, Sodium Salt, Hydrate (1:1:2)

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 304.31 g/mol
Molecular Formula C15H21NaO5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass304.12866805 g/mol
Monoisotopic Mass304.12866805 g/mol
Topological Polar Surface Area59.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity321
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)


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16-Jun-2021
06-May-2024
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