CAS 80382-23-6 manufacturers and suppliers on PharmaCompass

CAS 80382-23-6

Chemistry

Chemistry

Also known as: 80382-23-6, Loxoprofen sodium salt, Sodium 2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate, Cs-600, Loxoprofen (sodium), Sodium loxoprofen

Molecular Formula

C₁₅H₁₇NaO₃

Molecular Weight

268.28 g/mol

InChI Key

WORCCYVLMMTGFR-UHFFFAOYSA-M

FDA UNII

NDC2M7399S

1 2D Structure

CAS 80382-23-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoate

2.1.2 InChI

InChI=1S/C15H18O3.Na/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);/q;+1/p-1

2.1.3 InChI Key

WORCCYVLMMTGFR-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC(C1=CC=C(C=C1)CC2CCCC2=O)C(=O)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

NDC2M7399S

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 Dihydrate

9. Loxoprofen Sodium, (r*,s*)-isomer

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

11. Sodium Loxoprofen

2.3.2 Depositor-Supplied Synonyms

1. 80382-23-6

2. Loxoprofen Sodium Salt

3. Sodium 2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate

4. Cs-600

5. Loxoprofen (sodium)

6. Sodium Loxoprofen

7. Lx-a

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

9. Loxoprofen Sodium Hydrate

10. Ndc2m7399s

11. Chebi:76198

12. Mfcd00941425

13. Chembl66552

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

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

16. Sodium 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate

17. Unii-ndc2m7399s

18. Lp-x

19. Mls001401445

20. Schembl383675

21. Sodium 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propionate

22. Hy-b0578a

23. Amy8901

24. Cs-600g

25. Hms2051d12

26. Hms2233j14

27. Hms3370c11

28. Hms3393d12

29. Loxoprofen Sodium [who-dd]

30. Loxoprofen Sodium Salt [mi]

31. Akos025392177

32. Ccg-101024

33. Ccg-267132

34. Ks-5040

35. Loxoprofen Sodium Hydrate [jan]

36. Nc00274

37. Bl164648

38. Smr000469165

39. Cs-0013894

40. Ft-0630879

41. L0252

42. A839900

43. Q-201325

44. Q27145804

45. Sodium2-(4-((2-oxocyclopentyl)methyl)phenyl)propanoate

46. 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoate Sodium Salt

47. 2-[4-[(2-oxocyclopentyl)methyl]phenyl]propionic Acid Sodium Salt

48. Sodium 2-(4-((2-oxocyclopentyl)methyl)(phenyl)propionate

49. Benzeneacetic Acid, Alpha-methyl-4-((2-oxocyclopentyl)methyl)-, Sodium Salt, Dihydrate

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

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₇NaO₃
Molecular Weight	268.28 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	268.10753868 g/mol
Monoisotopic Mass	268.10753868 g/mol
Topological Polar Surface Area	57.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	321
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)