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    CAS 302-23-8

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 302-23-8, 17alpha-acetoxyprogesterone, 17308-02-0, 17-hydroxypregn-4-ene-3,20-dione acetate, 17alpha-acetoxy-progesterone, L124o66ysi
    Molecular Formula
    C23H32O4
    Molecular Weight
    372.5  g/mol
    InChI Key
    VTHUYJIXSMGYOQ-KOORYGTMSA-N
    FDA UNII
    L124O66YSI
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
    2.1.2 InChI
    InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1
    2.1.3 InChI Key
    VTHUYJIXSMGYOQ-KOORYGTMSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OC(=O)C
    2.1.5 Isomeric SMILES
    CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    L124O66YSI
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 302-23-8

    2. 17alpha-acetoxyprogesterone

    3. 17308-02-0

    4. 17-hydroxypregn-4-ene-3,20-dione Acetate

    5. 17alpha-acetoxy-progesterone

    6. L124o66ysi

    7. 17alpha-hydroxyprogesterone Acetate

    8. 17

    9. A-hydroxyprogesterone Acetate

    10. [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate

    11. 17-(acetyloxy)progesterone

    12. Prokan

    13. 17-hydroxyprogesterone Acetate

    14. 17.alpha.-acetoxyprogesterone

    15. 3,20-dioxopregn-4-en-17-yl Acetate

    16. 17-acetoxyprogesterone

    17. [(8s,9r,10s,13r,14r,17s)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] Acetate

    18. U 5533

    19. 17-ap

    20. Prodox Acetate

    21. Nsc-12191

    22. Acetoxyprogesterone

    23. Pregn-4-ene-3,20-dione, 17-hydroxy-, Acetate

    24. Hydroxyprogesterone-acetate

    25. Unii-l124o66ysi

    26. Schembl260023

    27. Chembl3273984

    28. Dtxsid90894096

    29. Bcpp000210

    30. Hy-n0347

    31. Zinc3881610

    32. Einecs 206-119-6

    33. Mfcd00021156

    34. Nsc 12191

    35. Akos015955630

    36. 17-hydroxyprogesterone 17alpha-acetate

    37. Ac-6840

    38. Bcp9000766

    39. 17alpha-acetoxy-4-pregnene-3,20-dione

    40. 17alpha-acetoxypregn-4-ene-3,20-dione

    41. 17alpha-acetoxypregnen-4-en-3,20-dion

    42. 17-(acetyloxy)pregn-4-ene-3,20-dione

    43. Ds-11426

    44. 17-hydroxypregn-4-ene-3,20-dioneacetate

    45. 3,20-dioxopregn-4-en-17-beta-ylacetate

    46. 17.alpha.-acetoxy-4-pregnene-3,20-dione

    47. 3,20-dioxo-4-pregnen-17alpha-yl Acetate

    48. Hydroxyprogesterone Acetate [who-dd]

    49. Hydroxyprogesterone Acetate [who-ip]

    50. Cs-0015252

    51. H1527

    52. U5533

    53. 4-pregnen-17.alpha.-ol-3,20-dione Acetate

    54. D97614

    55. Ec 206-119-6

    56. U-5533

    57. 17alpha-hydroxypregn-4-ene-3,20-diene Acetate

    58. 17alpha-hydroxyprogesterone 17-acetate, >=98%

    59. Megestrol Acetate Impurity K [ep Impurity]

    60. 17.alpha.-hydroxy-4-pregnene-3,20-dione 17-acetate

    61. Medroxyprogesterone Acetate Impurity H [who-ip]

    62. Q19597551

    63. 3,20-dioxopregn-4-en-17-yl Acetate [who-ip]

    64. 17.alpha.-hydroxy-4-pregnene-3,20-dione Acetate

    65. Medroxyprogesterone Acetate Impurity H [ep Impurity]

    66. Chlormadinone Acetate Impurity G, European Pharmacopoeia (ep) Reference Standard

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 372.5 g/mol
    Molecular Formula C23H32O4
    XLogP33.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass372.23005950 g/mol
    Monoisotopic Mass372.23005950 g/mol
    Topological Polar Surface Area60.4 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity737
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1