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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

Sodium Zomepirac
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)

2.3.3 Other Synonyms

1. Zomepirac

2.4 Create Date
2007-07-16
3 Chemical and Physical Properties
Molecular Weight 313.71 g/mol
Molecular Formula C15H13ClNNaO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass313.0481653 g/mol
Monoisotopic Mass313.0481653 g/mol
Topological Polar Surface Area62.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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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