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    Zomepirac

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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.)