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    Trimegestone

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 74513-62-5, Ru 27987, Ru-27987, 4658k0h08w, Trimegestone [inn], Totelle sekvens, ondeva
    Molecular Formula
    C22H30O3
    Molecular Weight
    342.5  g/mol
    InChI Key
    JUNDJWOLDSCTFK-MTZCLOFQSA-N
    FDA UNII
    4658K0H08W
    Trimegestone has been used in trials studying the treatment of Postmenopause.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1
    2.1.3 InChI Key
    JUNDJWOLDSCTFK-MTZCLOFQSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)C1(CCC2C1(CCC3=C4CCC(=O)C=C4CCC23)C)C)O
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    4658K0H08W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 17-(2-hydroxy-1-oxopropyl)-17-methylestra-4,9-dien-3-one

    2. 21-hydroxypromegestone

    3. Ru 27987

    4. Ru 27988

    5. Ru-27987

    6. Ru-27988

    7. Trimegestone, (17beta(r))-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 74513-62-5

    2. Ru 27987

    3. Ru-27987

    4. 4658k0h08w

    5. Trimegestone [inn]

    6. Totelle Sekvens, Ondeva

    7. Ondeva

    8. Trimegestone [usan:inn:ban]

    9. Unii-4658k0h08w

    10. (8s,13s,14s,17s)-17-[(2s)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

    11. Trimegestone (usan/inn)

    12. Trimegestone [usan]

    13. Trimegestone [mart.]

    14. Schembl518768

    15. Trimegestone [who-dd]

    16. Chembl2104765

    17. Chebi:136027

    18. Dtxsid201317995

    19. Zinc4217604

    20. Akos015967450

    21. At35938

    22. Db13129

    23. Ac-24967

    24. D06235

    25. 513t625

    26. A838156

    27. Q7842164

    28. 17beta-(s)-lactoyl-17-methylestra-4,9-dien-3-one

    29. 17.beta.-(s)-lactoyl-17-methylestra-4,9-dien-3-one

    30. Estra-4,9-dien-3-one, 17-(2-hydroxy-1-oxopropyl)-17-methyl-, (17.beta.(s))-

    31. Estra-4,9-dien-3-one, 17-(2-hydroxy-1-oxopropyl)-17-methyl-, (17beta(s))-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 342.5 g/mol
    Molecular Formula C22H30O3
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count2
    Exact Mass342.21949481 g/mol
    Monoisotopic Mass342.21949481 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity700
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1