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    18-F Florzolotau

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    2D Structure
    Also known as: Pmpbb3 f-18, Florzolotau f-18, Mni-958 f-18, (18f) mni-958, Apn-1607 f-18, Florzolotau (18f)
    Molecular Formula
    C20H20FN3O2S
    Molecular Weight
    384.5  g/mol
    InChI Key
    XXNYLYXTRMQXJS-CDLXMPELSA-N
    FDA UNII
    51M993JIQ4
    PMPBB3 F-18 is under investigation in clinical trial NCT04305210 (Alzheimer's Disease: Clinical Investigation and Neuroimage Studies Including 18F-PM-PBB3 and 18f-florbetapir (AV-45) PET Examination).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(18F)fluoro-3-[[2-[(1E,3E)-4-[6-(methylamino)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-yl]oxy]propan-2-ol
    2.1.2 InChI
    InChI=1S/C20H20FN3O2S/c1-22-19-9-6-14(12-23-19)4-2-3-5-20-24-17-8-7-16(10-18(17)27-20)26-13-15(25)11-21/h2-10,12,15,25H,11,13H2,1H3,(H,22,23)/b4-2+,5-3+/i21-1
    2.1.3 InChI Key
    XXNYLYXTRMQXJS-CDLXMPELSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    51M993JIQ4
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Pmpbb3 F-18

    2. Florzolotau F-18

    3. Mni-958 F-18

    4. (18f) Mni-958

    5. Apn-1607 F-18

    6. Florzolotau (18f)

    7. 51m993jiq4

    8. Unii-51m993jiq4

    9. 1565797-57-0

    10. (18f)apn-1607

    11. [18f]apn-1607

    12. Florzolotau (18f) [inn]

    13. Chembl5095045

    14. Schembl29409781

    15. Schembl31098888

    16. Ex-a10441

    17. 1-(fluoro-18f)-3-[[2-[(1e,3e)-4-[6-(methylamino)-3-pyridinyl]-1,3-butadien-1-yl]-6-benzothiazolyl]oxy]-2-propanol

    18. 2-propanol, 1-(fluoro-18f)-3-[[2-[(1e,3e)-4-[6-(methylamino)-3-pyridinyl]-1,3-butadien-1-yl]-6-benzothiazolyl]oxy]-

    19. Rac-(2r)-1-(18f)fluoro-3-[(2-{(1e,3e)-4-[6- (methylamino)pyridin-3-yl]buta-1,3-dien-1-yl}-1,3- Benzothiazol-6-yl)oxy]propan-2-ol

    2.4 Create Date
    2020-01-23
    3 Chemical and Physical Properties
    Molecular Weight 384.5 g/mol
    Molecular Formula C20H20FN3O2S
    XLogP34.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area95.5
    Heavy Atom Count27
    Formal Charge0
    Complexity508
    Isotope Atom Count1
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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