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    Tolmetin Sodium Dihydrate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 64490-92-2, Sodium tolmetin dihydrate, Tolumetin sodium dihydrate, Tolmetin (sodium dihydrate), Tolmetin sodium salt dihydrate, Sodium;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate;dihydrate
    Molecular Formula
    C15H18NNaO5
    Molecular Weight
    315.30  g/mol
    InChI Key
    QQILXENAYPUNEA-UHFFFAOYSA-M
    FDA UNII
    02N1TZF99F
    Tolmetin Sodium is the sodium salt form of tolmetin, an arylalkanoic acid and non-steroidal anti-inflammatory drug (NSAID) with analgesic, anti-inflammatory and antipyretic activities. Although the exact mechanism through which tolmetin exerts its effects has yet to be fully elucidated, this agent appears to inhibit the enzyme prostaglandin synthase. This prevents the formation of prostaglandins from prostaglandin precursors, including the synthesis of the inflammatory prostaglandin E2 (PGE2) from the precursor prostaglandin H2 (PGH2). This prevents prostaglandin-mediated effects, including pain, inflammation and fever.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate;dihydrate
    2.1.2 InChI
    InChI=1S/C15H15NO3.Na.2H2O/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18;;;/h3-8H,9H2,1-2H3,(H,17,18);;2*1H2/q;+1;;/p-1
    2.1.3 InChI Key
    QQILXENAYPUNEA-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].O.O.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    02N1TZF99F
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 64490-92-2

    2. Sodium Tolmetin Dihydrate

    3. Tolumetin Sodium Dihydrate

    4. Tolmetin (sodium Dihydrate)

    5. Tolmetin Sodium Salt Dihydrate

    6. Sodium;2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate;dihydrate

    7. Sodium 1-methyl-5-p-toluoylpyrrole-2-acetate Dihydrate

    8. 02n1tzf99f

    9. Chebi:72014

    10. Ncgc00017129-01

    11. Cas-64490-92-2

    12. 1h-pyrrole-2-acetic Acid, 1-methyl-5-(4-methylbenzoyl)-, Sodium Salt, Dihydrate

    13. Dsstox_cid_25594

    14. Dsstox_rid_80987

    15. Dsstox_gsid_45594

    16. Mcn-2559-21-98

    17. Nsc-757341

    18. Sodium 2-(1-methyl-5-(4-methylbenzoyl)-1h-pyrrol-2-yl)acetate Dihydrate

    19. Unii-02n1tzf99f

    20. Tolectin Sdoium

    21. Tolmetin Sodium [usan:usp:jan]

    22. Tolectin (tn)

    23. 1h-pyrrole-2-acetic Acid, 1-methyl-5-(4-methylbenzoyl)-, Sodium Salt,dihydrate

    24. Tolmetin Sodium (jan/usp)

    25. Tolmetin Sodium [jan]

    26. Tolmetin Sodium [usan]

    27. Tolmetin Sodium [vandf]

    28. Chembl1437585

    29. Dtxsid5045594

    30. Tolmetin Sodium [mart.]

    31. Tolmetin Sodium [usp-rs]

    32. Hms1570l13

    33. Hms2097l13

    34. Hms3714l13

    35. Bcp13056

    36. Hy-b1489

    37. Tox21_110792

    38. Mfcd00150761

    39. S4360

    40. Tolmetin Sodium [orange Book]

    41. Akos015901743

    42. Tox21_110792_1

    43. Ccg-220856

    44. Ccg-267642

    45. Cs-5160

    46. Nsc 757341

    47. Tolmetin Sodium [usp Monograph]

    48. Ncgc00178815-03

    49. Ac-31747

    50. Tolmetin Sodium Salt Dihydrate [mi]

    51. Ft-0649943

    52. D00158

    53. A834776

    54. Q27139864

    55. 1-methyl-5-(p-toluoyl)pyrrole-2-acetic Acid Sodium Salt, Dihydrate

    56. Sodium [1-methyl-5-(4-methylbenzoyl)-1h-pyrrol-2-yl]acetate--water (1/2)

    57. Sodium 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate Dihydrate

    58. Sodium 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetate Dihydrate

    59. 1h-pyrrole-2-acetic Acid, 1-methyl-5-(4-methylbenzoyl)-, Sodium Salt, Hydrate (1:1:2)

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 315.30 g/mol
    Molecular Formula C15H18NNaO5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass315.10826696 g/mol
    Monoisotopic Mass315.10826696 g/mol
    Topological Polar Surface Area64.1 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity353
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4