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    Flutafuranol F 18

    PharmaCompass
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    2D Structure
    Also known as: Flutafuranol f 18, Flutafuranol f-18, Azd-4694 f-18, Flutafuranol f 18 [usan], Flutafuranol (18f) [inn], 1211333-21-9
    Molecular Formula
    C14H11FN2O2
    Molecular Weight
    257.25  g/mol
    InChI Key
    MYNQXTDIPMCJCR-HUYCHCPVSA-N
    FDA UNII
    785H5FQN20
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-(18F)fluoranyl-6-(methylamino)pyridin-3-yl]-1-benzofuran-5-ol
    2.1.2 InChI
    InChI=1S/C14H11FN2O2/c1-16-13-5-3-10(14(15)17-13)12-7-8-6-9(18)2-4-11(8)19-12/h2-7,18H,1H3,(H,16,17)/i15-1
    2.1.3 InChI Key
    MYNQXTDIPMCJCR-HUYCHCPVSA-N
    2.1.4 Canonical SMILES
    CNC1=NC(=C(C=C1)C2=CC3=C(O2)C=CC(=C3)O)F
    2.1.5 Isomeric SMILES
    CNC1=NC(=C(C=C1)C2=CC3=C(O2)C=CC(=C3)O)[18F]
    2.2 Other Identifiers
    2.2.1 UNII
    785H5FQN20
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Flutafuranol F 18

    2. Flutafuranol F-18

    3. Azd-4694 F-18

    4. Flutafuranol F 18 [usan]

    5. Flutafuranol (18f) [inn]

    6. 1211333-21-9

    7. 785h5fqn20

    8. (18f)azd4694

    9. (18f)nav4694

    10. Azd4694 F-18

    11. Nav4694 F-18

    12. (18f)azd-4694

    13. (18f)nav-4694

    14. Nav-4694 F-18

    15. Flutafuranol F 18 (usan)

    16. [18f]azd4694

    17. [18f]nav4694

    18. [18f]azd-4694

    19. Unii-785h5fqn20

    20. Chembl2158614

    21. Schembl16939670

    22. 2-(2-((sup 18)f)fluoro-6-methylamino-pyridin-3-yl)-benzofuran-5-ol

    23. Flutafuranol (18f) [who-dd]

    24. D10706

    25. Q27266639

    26. 2-(2-(18f)fluoro-6-(methylamino)pyridin-3-yl)-1-benzofuran-5-ol

    27. 5-benzofuranol, 2-(2-(fluoro-18f)-6-(methylamino)-3-pyridinyl)-

    2.4 Create Date
    2010-03-15
    3 Chemical and Physical Properties
    Molecular Weight 257.25 g/mol
    Molecular Formula C14H11FN2O2
    XLogP33.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass257.082990 g/mol
    Monoisotopic Mass257.082990 g/mol
    Topological Polar Surface Area58.3 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity318
    Isotope Atom Count1
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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