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    Technical details about Prestwick3_000779, learn more about the structure, uses, toxicity, action, side effects and more

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    Prestwick3_000779

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 33369-31-2, 5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrole-2-acetic acid, [5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetic acid, 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid, Chembl19490, Chebi:35859
    Molecular Formula
    C15H14ClNO3
    Molecular Weight
    291.73  g/mol
    InChI Key
    ZXVNMYWKKDOREA-UHFFFAOYSA-N
    FDA UNII
    822G987U9J
    Zomepirac, formerly marketed as Zomax tablets, was associated with fatal and near-fatal anaphylactoid reactions. The manufacturer voluntarily removed Zomax tablets from the Canadian, US, and UK markets in March 1983.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic acid
    2.1.2 InChI
    InChI=1S/C15H14ClNO3/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)
    2.1.3 InChI Key
    ZXVNMYWKKDOREA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(N(C(=C1)CC(=O)O)C)C(=O)C2=CC=C(C=C2)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    822G987U9J
    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 Potassium

    5. Zomepirac Sodium

    2.3.2 Depositor-Supplied Synonyms

    1. 33369-31-2

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

    3. [5-(4-chlorobenzoyl)-1,4-dimethyl-1h-pyrrol-2-yl]acetic Acid

    4. 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetic Acid

    5. Chembl19490

    6. Chebi:35859

    7. 822g987u9j

    8. 1h-pyrrole-2-aceticacid, 5-(4-chlorobenzoyl)-1,4-dimethyl-

    9. Zomepiracum [inn-latin]

    10. 1,4-dimethyl-5-p-chlorobenzoylpyrrole-2-acetic Acid

    11. Zomepiracum

    12. Zomepirac [inn:ban]

    13. Ncgc00094811-01

    14. Einecs 251-474-2

    15. Sr-05000001739

    16. {5-[(4-chlorophenyl)carbonyl]-1,4-dimethyl-1h-pyrrol-2-yl}acetic Acid

    17. Unii-822g987u9j

    18. Zom

    19. Spectrum_000306

    20. Zomepirac [inn]

    21. Zomepirac [mi]

    22. Prestwick0_000779

    23. Prestwick1_000779

    24. Prestwick2_000779

    25. Prestwick3_000779

    26. Spectrum2_000955

    27. Spectrum3_000589

    28. Spectrum4_000383

    29. Spectrum5_001427

    30. Zomepirac [who-dd]

    31. Schembl25735

    32. Bspbio_000858

    33. Bspbio_002038

    34. Kbiogr_000905

    35. Kbioss_000786

    36. Divk1c_000953

    37. Spectrum1500615

    38. Spbio_000950

    39. Spbio_002797

    40. Bpbio1_000944

    41. Dtxsid9023754

    42. Hms502p15

    43. Kbio1_000953

    44. Kbio2_000786

    45. Kbio2_003354

    46. Kbio2_005922

    47. Kbio3_001538

    48. Zinc57537

    49. Zomepirac; Aif; Ce0; Corrdec

    50. Ninds_000953

    51. Hms1921k11

    52. Hms2092e04

    53. Pharmakon1600-01500615

    54. 1h-pyrrole-2-acetic Acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-

    55. Bdbm50027952

    56. Ccg-39056

    57. Nsc757379

    58. Db04828

    59. Idi1_000953

    60. Ncgc00094811-02

    61. Ncgc00094811-03

    62. Ncgc00094811-04

    63. Da-06775

    64. Sbi-0051557.p002

    65. Ft-0708860

    66. Ab00052126_03

    67. Q4024685

    68. Sr-05000001739-1

    69. Brd-k81326768-001-02-4

    70. Brd-k81326768-236-03-4

    71. 5-(p-chlorobenzoyl)-1,4-dimethyl-pyrrole-2-acetic Acid

    72. 5-(p-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetic Acid

    73. 5-(rho-chlorobenzoyl)-1,4-dimethylpyrrole-2-acetic Acid

    2.4 Create Date
    2005-03-25
    3 Chemical and Physical Properties
    Molecular Weight 291.73 g/mol
    Molecular Formula C15H14ClNO3
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass291.0662210 g/mol
    Monoisotopic Mass291.0662210 g/mol
    Topological Polar Surface Area59.3 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity379
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Zomepirac was indicated for the management of mild to severe pain.

    5 Pharmacology and Biochemistry
    5.1 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.)

    5.2 ATC Code

    M - Musculo-skeletal system

    M01 - Antiinflammatory and antirheumatic products

    M01A - Antiinflammatory and antirheumatic products, non-steroids

    M01AB - Acetic acid derivatives and related substances

    M01AB04 - Zomepirac

    5.3 Metabolism/Metabolites

    Zomepirac has known human metabolites that include Zomepirac O-glucuronide.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560

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