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    CAS 54024-21-4

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Desogestrel impurity c, 54024-21-4, 8i5jc3o57t, Gon-4-en-17-one, 13-ethyl-11-methylene-, (8s,9s,10r,13s,14s)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one, Unii-8i5jc3o57t
    Molecular Formula
    C20H28O
    Molecular Weight
    284.4  g/mol
    InChI Key
    KVNYZZFGXXHVMG-CAVMOMJPSA-N
    FDA UNII
    8I5JC3O57T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8S,9S,10R,13S,14S)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
    2.1.2 InChI
    InChI=1S/C20H28O/c1-3-20-12-13(2)19-15-7-5-4-6-14(15)8-9-16(19)17(20)10-11-18(20)21/h6,15-17,19H,2-5,7-12H2,1H3/t15-,16-,17-,19+,20-/m0/s1
    2.1.3 InChI Key
    KVNYZZFGXXHVMG-CAVMOMJPSA-N
    2.1.4 Canonical SMILES
    CCC12CC(=C)C3C(C1CCC2=O)CCC4=CCCCC34
    2.1.5 Isomeric SMILES
    CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CCCC[C@H]34
    2.2 Other Identifiers
    2.2.1 UNII
    8I5JC3O57T
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 13-ethyl-11-methylenegon-4-en-17-one

    2. 13beta-ethyl-11-methylenegon-4-en-17-one

    2.3.2 Depositor-Supplied Synonyms

    1. Desogestrel Impurity C

    2. 54024-21-4

    3. 8i5jc3o57t

    4. Gon-4-en-17-one, 13-ethyl-11-methylene-

    5. (8s,9s,10r,13s,14s)-13-ethyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

    6. Unii-8i5jc3o57t

    7. Desogestrel Impurity C [ep]

    8. Desogestrel Specified Impurity C [ep]

    9. 13-ethyl-11-methylene-gon-4-en-17-one

    10. 13beta-ethyl-11-methylenegon-4-en-17-one

    11. (+)-13beta-ethyl-11-methylenegon-4-en-17-one

    12. Schembl6689499

    13. Zinc22059087

    14. Akos025290382

    15. 18-methyl-11-methylene-4eh-17-one

    16. 13?-ethyl-11-methylenegon-4-en-17-one

    17. 13-ethyl-11-methylene-gon-4-ene-17-one

    18. Desogestrel Impurity C [ep Impurity]

    19. 13beta-ethyl-11-methylenegona-4-ene-17-one

    20. C15950

    21. Desogestrel Related Compound D [usp-rs]

    22. 024e214

    23. Q-102814

    24. 13.beta.-ethyl-11-methylenegon-4-en-17-one

    25. Desogestrel Related Compound D [usp Impurity]

    26. Q27270566

    27. (+)-13.beta.-ethyl-11-methylenegon-4-en-17-one

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 284.4 g/mol
    Molecular Formula C20H28O
    XLogP34
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass284.214015512 g/mol
    Monoisotopic Mass284.214015512 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity514
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1