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Sodium Zomepirac

Sodium Zomepirac

Synopsis, Chemistry

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Also known as: Zomepirac sodium salt, 64092-48-4, Sodium zomepirac, Zomepirac (sodium salt), Zomepirac sodium anhydrous, Sodium;2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate

Molecular Formula

C₁₅H₁₃ClNNaO₃

Molecular Weight

313.71 g/mol

InChI Key

SEEXPXUCHVGZGU-UHFFFAOYSA-M

FDA UNII

DA5B6IWF46

1 2D Structure

Sodium Zomepirac

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate

2.1.2 InChI

InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1

2.1.3 InChI Key

SEEXPXUCHVGZGU-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.[Na+]

2.2 Other Identifiers

2.2.1 UNII

DA5B6IWF46

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrole-2-acetate Dihydrate

2. Mcn 2783-21-98

3. Zomax

4. Zomepirac

5. Zomepirac Potassium

2.3.2 Depositor-Supplied Synonyms

1. Zomepirac Sodium Salt

2. 64092-48-4

3. Sodium Zomepirac

4. Zomepirac (sodium Salt)

5. Zomepirac Sodium Anhydrous

6. Sodium;2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate

7. Da5b6iwf46

8. Mcn-2783-21-98

9. 1h-pyrrole-2-acetic Acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, Sodium Salt

10. Ncgc00090751-01

11. Cas-64092-48-4

12. Dsstox_cid_13989

13. Dsstox_rid_79106

14. Dsstox_gsid_33989

15. Smr000686071

16. Mcn 2783-21-98

17. Ncgc00094811-01

18. Zomepiracsodiumsalt

19. Einecs 264-669-2

20. Unii-da5b6iwf46

21. Sodium 5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrole-2-acetate

22. 5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrole-2-acetic Acid Sodium Salt

23. Prestwick_973

24. Mls001055441

25. Mls002153996

26. Chembl266459

27. Dtxsid3033989

28. Schembl11172041

29. Zomepirac Sodium [who-dd]

30. Hms1570k20

31. Hms2097k20

32. Hms3714k20

33. Hy-b0890

34. Tox21_111006

35. Tox21_111335

36. Tox21_202177

37. Akos015962410

38. Tox21_111006_1

39. Ccg-220779

40. Cs-4353

41. Ncgc00017126-01

42. Ncgc00094811-06

43. Ncgc00259726-01

44. Ac-17496

45. Ft-0675929

46. Q27276294

47. Sodium [5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetate

48. Sodium 2-(5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl)acetate

49. 1h-pyrrole-2-acetic Acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, Sodium Salt (1:1)

2.4 Create Date

2007-07-16

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₃ClNNaO₃
Molecular Weight	313.71 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	313.0481653 g/mol
Monoisotopic Mass	313.0481653 g/mol
Topological Polar Surface Area	62.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	385
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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.)