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    Imlunestrant

    ACTIVE PHARMA INGREDIENTS

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    DIGITAL CONTENT

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    2D Structure
    Also known as: Imlunestrant [usan], Unii-9cxq3pf69u, 9cxq3pf69u, Ly3484356, 2408840-26-4, (5r)-5-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-8-(trifluoromethyl)-5h-(1)benzopyrano(4,3-c)quinolin-2-ol
    Molecular Formula
    C29H24F4N2O3
    Molecular Weight
    524.5  g/mol
    InChI Key
    UVBQMXOKKDCBJN-MUUNZHRXSA-N
    FDA UNII
    9CXQ3PF69U
    Imlunestrant is an orally available selective estrogen receptor degrader (SERD), with potential antineoplastic activity. Upon oral administration, imlunestrant specifically targets and binds to the estrogen receptor (ER) and induces a conformational change that results in ER degradation. This prevents ER-mediated signaling and inhibits both the growth and survival of ER-expressing cancer cells.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5R)-5-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-8-(trifluoromethyl)-5H-chromeno[4,3-c]quinolin-2-ol
    2.1.2 InChI
    InChI=1S/C29H24F4N2O3/c30-13-17-15-35(16-17)9-10-37-21-5-1-18(2-6-21)28-27-23-8-4-20(36)12-25(23)34-14-24(27)22-7-3-19(29(31,32)33)11-26(22)38-28/h1-8,11-12,14,17,28,36H,9-10,13,15-16H2/t28-/m1/s1
    2.1.3 InChI Key
    UVBQMXOKKDCBJN-MUUNZHRXSA-N
    2.1.4 Canonical SMILES
    C1C(CN1CCOC2=CC=C(C=C2)C3C4=C5C=CC(=CC5=NC=C4C6=C(O3)C=C(C=C6)C(F)(F)F)O)CF
    2.1.5 Isomeric SMILES
    C1C(CN1CCOC2=CC=C(C=C2)[C@@H]3C4=C5C=CC(=CC5=NC=C4C6=C(O3)C=C(C=C6)C(F)(F)F)O)CF
    2.2 Other Identifiers
    2.2.1 UNII
    9CXQ3PF69U
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5h-(1)benzopyrano(4,3-c)quinolin-2-ol, 5-(4-(2-(3-(fluoromethyl)-1-azetidinyl)ethoxy)phenyl)-8-(trifluoromethyl)-, (5r)-

    2. 5h-(1)benzopyrano(4,3-c)quinolin-2-ol, 5-(4-(2-(3-(fluoromethyl)-1-azetidinyl)ethoxy)phenyl)-8-(trifluoromethyl)-, (5r)-, Compd. With 4-methylbenzenesulfonate (1:1)

    3. Imlunestrant Tosylate

    4. Ly3484356

    2.3.2 Depositor-Supplied Synonyms

    1. Imlunestrant [usan]

    2. Unii-9cxq3pf69u

    3. 9cxq3pf69u

    4. Ly3484356

    5. 2408840-26-4

    6. (5r)-5-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-8-(trifluoromethyl)-5h-(1)benzopyrano(4,3-c)quinolin-2-ol

    7. 5h-(1)benzopyrano(4,3-c)quinolin-2-ol, 5-(4-(2-(3-(fluoromethyl)-1-azetidinyl)ethoxy)phenyl)-8-(trifluoromethyl)-, (5r)-

    8. Imlunestrant [inn]

    9. Schembl22002569

    10. Bdbm443429

    11. Glxc-26209

    12. Us10654866, Example 1a

    13. Ex-a6123

    14. Who 12039

    15. Ly-3484356 [who-dd]

    16. Hy-145572

    17. Cs-0376104

    18. Ly-3484356

    2.4 Create Date
    2020-06-27
    3 Chemical and Physical Properties
    Molecular Weight 524.5 g/mol
    Molecular Formula C29H24F4N2O3
    XLogP36
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count6
    Exact Mass524.17230528 g/mol
    Monoisotopic Mass524.17230528 g/mol
    Topological Polar Surface Area54.8 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity788
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1