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    Linzagolix Choline

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Klh-2109 choline, Vhs6sc660q, 1321816-57-2, Obe2109 choline, Unii-vhs6sc660q, Linzagolix choline [usan]
    Molecular Formula
    C27H28F3N3O8S
    Molecular Weight
    611.6  g/mol
    InChI Key
    IAIVRTFCYOGNBW-UHFFFAOYSA-M
    FDA UNII
    VHS6SC660Q
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylate;2-hydroxyethyl(trimethyl)azanium
    2.1.2 InChI
    InChI=1S/C22H15F3N2O7S.C5H14NO/c1-32-14-4-3-10(23)18(25)9(14)7-34-16-6-13(11(24)5-15(16)33-2)27-20(28)17-12(26-22(27)31)8-35-19(17)21(29)30;1-6(2,3)4-5-7/h3-6,8H,7H2,1-2H3,(H,26,31)(H,29,30);7H,4-5H2,1-3H3/q;+1/p-1
    2.1.3 InChI Key
    IAIVRTFCYOGNBW-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C[N+](C)(C)CCO.COC1=C(C(=C(C=C1)F)F)COC2=C(C=C(C(=C2)N3C(=O)C4=C(SC=C4NC3=O)C(=O)[O-])F)OC
    2.2 Other Identifiers
    2.2.1 UNII
    VHS6SC660Q
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Klh-2109 Choline

    2. Vhs6sc660q

    3. 1321816-57-2

    4. Obe2109 Choline

    5. Unii-vhs6sc660q

    6. Linzagolix Choline [usan]

    7. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, 3-(5-((2,3-difluoro-6-methoxyphenyl)methoxy)-2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydro-2,4-dioxothieno(3,4-d)pyrimidine-5-carboxylate (1:1)

    8. Linzagolix Choline (usan)

    9. Linzagolix Choline Salt

    10. Linzagolix Choline [who-dd]

    11. Chembl4298171

    12. Dtxsid201337397

    13. Bcp30450

    14. Akos040747106

    15. D11609

    16. 3-[5-[(2,3-difluoro-6-methoxyphenyl)methoxy]-2-fluoro-4-methoxyphenyl]-2,4-dioxo-1h-thieno[3,4-d]pyrimidine-5-carboxylate;2-hydroxyethyl(trimethyl)azanium

    2.4 Create Date
    2011-09-19
    3 Chemical and Physical Properties
    Molecular Weight 611.6 g/mol
    Molecular Formula C27H28F3N3O8S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area166
    Heavy Atom Count42
    Formal Charge0
    Complexity867
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Yselty is indicated for the treatment of moderate to severe symptoms of uterine fibroids in adult women of reproductive age.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    H01CC04