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    Technical details about CAS 99469-99-5, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 99469-99-5

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 99469-99-5, 3-ethoxy-4-ethoxycarbonyl phenylacetic acid, 2-(3-ethoxy-4-(ethoxycarbonyl)phenyl)acetic acid, 3-ethoxy-4-(ethoxycarbonyl)phenylacetic acid, 4-ethoxycarbonyl-3-ethoxyphenylacetic acid, Repaglinide related compound b
    Molecular Formula
    C13H16O5
    Molecular Weight
    252.26  g/mol
    InChI Key
    OTGSESBEJUHCES-UHFFFAOYSA-N
    FDA UNII
    GG6C71LIOD
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C13H16O5/c1-3-17-11-7-9(8-12(14)15)5-6-10(11)13(16)18-4-2/h5-7H,3-4,8H2,1-2H3,(H,14,15)
    2.1.3 InChI Key
    OTGSESBEJUHCES-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=C(C=CC(=C1)CC(=O)O)C(=O)OCC
    2.2 Other Identifiers
    2.2.1 UNII
    GG6C71LIOD
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 99469-99-5

    2. 3-ethoxy-4-ethoxycarbonyl Phenylacetic Acid

    3. 2-(3-ethoxy-4-(ethoxycarbonyl)phenyl)acetic Acid

    4. 3-ethoxy-4-(ethoxycarbonyl)phenylacetic Acid

    5. 4-ethoxycarbonyl-3-ethoxyphenylacetic Acid

    6. Repaglinide Related Compound B

    7. Ethyl 4-carboxymethyl-2-ethoxybenzoate

    8. 2-(3-ethoxy-4-ethoxycarbonylphenyl)acetic Acid

    9. Benzeneacetic Acid, 3-ethoxy-4-(ethoxycarbonyl)-

    10. [3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic Acid

    11. Mfcd08704233

    12. Gg6c71liod

    13. (3-ethoxy-4-(ethoxycarbonyl)phenyl)acetic Acid

    14. 4-carboxymethyl-2-ethoxybenzoic Acid Ethyl Ester

    15. 3-ethoxy-4-(ethoxycarbonyl)benzeneacetic Acid

    16. 4-ethoxycaybonyl-3-ethoxyphenyiaceticacid

    17. Ethyl 4-(carboxymethyl)-2-ethoxybenzoate

    18. 2-[3-ethoxy-4-(ethoxycarbonyl)phenyl]acetic Acid

    19. Unii-gg6c71liod

    20. Ethyl 2-ethoxy-4-carboxymethylbenzoate

    21. Repaglinide Related Compound B [usp]

    22. Repaglinide Specified Impurity B [ep]

    23. Repaglinide Related Compound B Rs [usp]

    24. 4-(ethoxycarbonyl)-3-ethoxyphenylacetic Acid

    25. Ec 427-630-2

    26. Schembl391346

    27. Dtxsid80244066

    28. Act00935

    29. Bcp22607

    30. Stl452955

    31. Zinc15021196

    32. Akos015919544

    33. Ps-7455

    34. 112gi005

    35. 4-ethoxycabonyl-3-ethoxyphenylacetic Acid

    36. Sy018590

    37. 3-ethoxy-4-ethoxycarbonyl-phenylacetic Acid

    38. 3-ethoxy-4-ethoxycarbonyl Phenyl Acetic Acid

    39. 3-ethoxy-4-ethoxycarbonyl-phenyl-acetic Acid

    40. Am20090698

    41. E0928

    42. Ft-0649265

    43. Ft-0668097

    44. Repaglinide Impurity B [ep Impurity]

    45. 3-ethoxy-4-(ethoxycarbonyl)phenyl Acetic Acid

    46. A24998

    47. H11847

    48. Repaglinide Related Compound B [usp-rs]

    49. 2-(3-ethoxy-4-(ethoxycarbonyl)phenyl)aceticacid

    50. 3-ethoxy-4-(ethoxy Carbonyl)-phenyl Acetic Acid

    51. 2-(4-(ethoxycarbonyl)-3-ethoxyphenyl)acetic Acid

    52. 4-carboxymethyl-2-ethoxy-benzoic Acid Ethyl Ester

    53. 469e995

    54. Q-101330

    55. 3-ethoxy-4-(ethoxycarbonyl)phenyl Acetic Acid-[d10]

    56. Q27279085

    57. Repaglinide Related Compound B [usp Impurity]

    58. 3-ethoxy-4-ethoxycarbonyl Phenylacetic Acid;4-ehtoxycarbonyl-3-ehtoxyphynylacetic Acid;4-ethoxycarbonyl-3-ethoxyphenylacetic Acid

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 252.26 g/mol
    Molecular Formula C13H16O5
    XLogP31.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass252.09977361 g/mol
    Monoisotopic Mass252.09977361 g/mol
    Topological Polar Surface Area72.8 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity289
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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