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    Deprodone propionate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
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    2D Structure
    Also known as: 20424-00-4, S377zhw5oe, [(8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] propanoate, Deprodone propionate (jan), Deprodone propionate [jan], (8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl propionate
    Molecular Formula
    C24H32O5
    Molecular Weight
    400.5  g/mol
    InChI Key
    DRSFVGQMPYTGJY-GNSLJVCWSA-N
    FDA UNII
    S377ZHW5OE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
    2.1.2 InChI
    InChI=1S/C24H32O5/c1-5-20(28)29-24(14(2)25)11-9-18-17-7-6-15-12-16(26)8-10-22(15,3)21(17)19(27)13-23(18,24)4/h8,10,12,17-19,21,27H,5-7,9,11,13H2,1-4H3/t17-,18-,19-,21+,22-,23-,24-/m0/s1
    2.1.3 InChI Key
    DRSFVGQMPYTGJY-GNSLJVCWSA-N
    2.1.4 Canonical SMILES
    CCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)C
    2.1.5 Isomeric SMILES
    CCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    S377ZHW5OE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 20424-00-4

    2. S377zhw5oe

    3. [(8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] Propanoate

    4. Deprodone Propionate (jan)

    5. Deprodone Propionate [jan]

    6. (8s,9s,10r,11s,13s,14s,17r)-17-acetyl-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl Propionate

    7. Deprodone 17-propionate

    8. Unii-s377zhw5oe

    9. Eclare

    10. Allomidon

    11. Eclar

    12. Allomidon (tn)

    13. Einecs 243-810-1

    14. 11beta,17-dihydroxypregna-1,4-diene-3,20-dione 17-propionate

    15. Schembl124573

    16. Niosh/tu4142600

    17. Chebi:31465

    18. 21-deoxyprednisolone 17-propionate

    19. Ex-a3366

    20. Zinc3915122

    21. Hy-u00190

    22. Deprodone Propionate [who-dd]

    23. Cs-7283

    24. 21-deoxyprednisolone 17alpha-propionate

    25. Rd 20000

    26. Tu41426000

    27. D01434

    28. Q-101385

    29. Q27288523

    30. (11-beta)-11-hydroxy-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione

    31. Pregna-1,4-diene-3,20-dione, 11-beta,17-dihydroxy-, 17-propionate

    32. Pregna-1,4-diene-3,20-dione,11-hydroxy-17-(1-oxopropoxy)-,(11b)-

    33. Pregna-1,4-diene-3,20-dione, 11-hydroxy-17-(1-oxopropoxy)-, (11-beta)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 400.5 g/mol
    Molecular Formula C24H32O5
    XLogP33.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass400.22497412 g/mol
    Monoisotopic Mass400.22497412 g/mol
    Topological Polar Surface Area80.7 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity825
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1