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    Apabetalone

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    2D Structure
    Also known as: 1044870-39-4, Rvx-208, 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3h)-one, Rvx-000222, Rvx 208, Rvx000222
    Molecular Formula
    C20H22N2O5
    Molecular Weight
    370.4  g/mol
    InChI Key
    NETXMUIMUZJUTB-UHFFFAOYSA-N
    FDA UNII
    8R4A7GDZ1D
    Apabetalone has been investigated for the treatment of Diabetes, Atherosclerosis, and Coronary Artery Disease.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
    2.1.2 InChI
    InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
    2.1.3 InChI Key
    NETXMUIMUZJUTB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2
    2.2 Other Identifiers
    2.2.1 UNII
    8R4A7GDZ1D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-4(1h)-quinazolinone

    2. 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3h)-one

    3. Rvx 000222

    4. Rvx 208

    5. Rvx-000222

    6. Rvx-208

    7. Rvx000222

    8. Rvx208

    2.3.2 Depositor-Supplied Synonyms

    1. 1044870-39-4

    2. Rvx-208

    3. 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3h)-one

    4. Rvx-000222

    5. Rvx 208

    6. Rvx000222

    7. Apabetalone [inn]

    8. 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3h)-one

    9. Rvx 000222

    10. 8r4a7gdz1d

    11. 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1h-quinazolin-4-one

    12. 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3h-quinazolin-4-one

    13. Apabetalone [usan:inn]

    14. Unii-8r4a7gdz1d

    15. Rvx208

    16. 1k0

    17. Qc-216

    18. 4j1p

    19. 4j3i

    20. 4mr4

    21. 4mr6

    22. Apabetalone (usan/inn)

    23. Apabetalone [usan]

    24. Apabetalone [who-dd]

    25. Schembl145019

    26. Gtpl7034

    27. Schembl17002023

    28. Dtxsid90146502

    29. Hms3653c10

    30. Hms3744m09

    31. Hms3886d13

    32. Bcp07787

    33. Ex-a1110

    34. Mfcd18633270

    35. Nsc771600

    36. S7295

    37. Zinc43199551

    38. Akos016008772

    39. Akos026750505

    40. Ccg-268298

    41. Cs-3239

    42. Db12000

    43. Nsc-771600

    44. Sb17171

    45. 2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-4(1h)-quinazolinone

    46. Ncgc00356073-09

    47. Ncgc00356073-11

    48. Ac-28201

    49. As-35133

    50. Bp-23380

    51. Hy-16652

    52. Rvx-208(rvx-000222)

    53. Sw219327-1

    54. D11131

    55. J-001182

    56. Q21099554

    57. 2-[4-(2-hydroxy-ethoxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3h-quinazolin-4-one

    58. 2-[4-(2-hydroxyethoxy)-3,5-dimethyl-phenyl]-5,7-dimethoxy-3h-quinazolin-4-one

    59. 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-one

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 370.4 g/mol
    Molecular Formula C20H22N2O5
    XLogP32.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass370.15287181 g/mol
    Monoisotopic Mass370.15287181 g/mol
    Topological Polar Surface Area89.4 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity543
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1