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    Ligandrol

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    $ API Ref.Price (USD/KG) : 5,016Xls

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    2D Structure
    Also known as: 1165910-22-4, Lgd-4033, Ligandrol, Lgd4033, Vk-5211, 4-[(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
    Molecular Formula
    C14H12F6N2O
    Molecular Weight
    338.25  g/mol
    InChI Key
    OPSIVAKKLQRWKC-VXGBXAGGSA-N
    FDA UNII
    1EJT54415A
    Ligandrol is an investigational selective androgen receptor modulator (SARM) for treatment of conditions such as muscle wasting and osteoporosis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(2R)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
    2.1.2 InChI
    InChI=1S/C14H12F6N2O/c15-13(16,17)10-6-9(4-3-8(10)7-21)22-5-1-2-11(22)12(23)14(18,19)20/h3-4,6,11-12,23H,1-2,5H2/t11-,12-/m1/s1
    2.1.3 InChI Key
    OPSIVAKKLQRWKC-VXGBXAGGSA-N
    2.1.4 Canonical SMILES
    C1CC(N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)C(C(F)(F)F)O
    2.1.5 Isomeric SMILES
    C1C[C@@H](N(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F)[C@H](C(F)(F)F)O
    2.2 Other Identifiers
    2.2.1 UNII
    1EJT54415A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-(2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile

    2. Lgd-4033

    2.3.2 Depositor-Supplied Synonyms

    1. 1165910-22-4

    2. Lgd-4033

    3. Ligandrol

    4. Lgd4033

    5. Vk-5211

    6. 4-[(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile

    7. 1ejt54415a

    8. 4-[(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl]-2-(trifluoromethyl)benzonitrile

    9. Unii-1ejt54415a

    10. 4-((2r)-2-((1r)-2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl)-2-(trifluoromethyl)benzonitrile

    11. 4-{(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl}-2-(trifluoromethyl)benzonitrile

    12. Benzonitrile, 4-((2r)-2-((1r)-2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl)-2-(trifluoromethyl)-

    13. Benzonitrile, 4-[(2r)-2-[(1r)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl]-2-(trifluoromethyl)-

    14. Ligandrol;lgd-4033

    15. Schembl221159

    16. Ligandrol [nflis-drug]

    17. Lgd4033(lg)

    18. Vk5211

    19. Dtxsid10657620

    20. Ex-a729

    21. Bcp07128

    22. Lgd-4033lgd-4033

    23. Mfcd27923016

    24. S8822

    25. Zinc95830588

    26. Akos022173564

    27. Cs-4667

    28. Db13934

    29. Lgd-4033(vk-5211)

    30. Ac-30218

    31. Hy-13981

    32. A14346

    33. J-690039

    34. Q21098841

    2.4 Create Date
    2009-08-10
    3 Chemical and Physical Properties
    Molecular Weight 338.25 g/mol
    Molecular Formula C14H12F6N2O
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass338.08538198 g/mol
    Monoisotopic Mass338.08538198 g/mol
    Topological Polar Surface Area47.3 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity468
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1