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    Prednisolone Valerate Acetate

    ACTIVE PHARMA INGREDIENTS

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    ANALYTICAL

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    2D Structure
    Also known as: Acepreval, 72064-79-0, Lidomex, Prednisolone 17-valerate 21-acetate, Prednisolone valeroacetate, Prednisolone valerate acetate [jan]
    Molecular Formula
    C28H38O7
    Molecular Weight
    486.6  g/mol
    InChI Key
    DGYSDXLCLKPUBR-SLPNHVECSA-N
    FDA UNII
    2JB27QJW3D
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] pentanoate
    2.1.2 InChI
    InChI=1S/C28H38O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h10,12,14,20-22,25,31H,5-9,11,13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1
    2.1.3 InChI Key
    DGYSDXLCLKPUBR-SLPNHVECSA-N
    2.1.4 Canonical SMILES
    CCCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C(=O)COC(=O)C
    2.1.5 Isomeric SMILES
    CCCCC(=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)COC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    2JB27QJW3D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Acepreval

    2. Prednisolone 17-valerate-21-acetate

    2.3.2 Depositor-Supplied Synonyms

    1. Acepreval

    2. 72064-79-0

    3. Lidomex

    4. Prednisolone 17-valerate 21-acetate

    5. Prednisolone Valeroacetate

    6. Prednisolone Valerate Acetate [jan]

    7. 2jb27qjw3d

    8. 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate 17-valerate

    9. [(8s,9s,10r,11s,13s,14s,17r)-17-(2-acetyloxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] Pentanoate

    10. Prednival Acetate (prednisolone 17-valerate 21-acetate)

    11. Prednisolone Valerate Acetate (jan)

    12. 1,4-pregnadien-11-beta, 17,21-triol-3,20-dione 17-valerate-21-acetate

    13. (11beta)-21-(acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]pregna-1,4-diene-3,20-dione

    14. (8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-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 Pentanoate

    15. Einecs 276-312-8

    16. Prednisolone-17-valerate-21-acetate

    17. Unii-2jb27qjw3d

    18. Brn 2713941

    19. Spirazon (tn)

    20. Prednisolone 21-acetate 17-valerate

    21. Prednisone Impurity 3

    22. 11-beta,17-alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-acetate 17-valerate

    23. 21-(acetyloxy)-11-beta-hydroxy-17-((1-oxopentyl)oxy)pregna-1,4-diene-3,20-dione

    24. Schembl375318

    25. Chembl1697848

    26. Dtxsid3023506

    27. Chebi:135785

    28. Zinc4214175

    29. 11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-acetate 17-valerate

    30. Ncgc00532510-01

    31. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-((1-oxopentyl)oxy)-, (11-beta)-

    32. Prednisolone Valeroacetate [who-dd]

    33. D03301

    34. 064p790

    35. Q-101384

    36. Q27254822

    37. (11beta)-21-(acetyloxy)-11-hydroxy-3,20-dioxopregna-1,4-dien-17-yl Pentanoate

    38. (9s,10r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-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 Pentanoate

    39. 11.beta.,17.alpha.,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-acetate 17-valerate

    40. Pdl

    41. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-((1-oxopentyl)oxy)-, (11.beta.)-

    2.4 Create Date
    2005-11-20
    3 Chemical and Physical Properties
    Molecular Weight 486.6 g/mol
    Molecular Formula C28H38O7
    XLogP34.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count9
    Exact Mass486.26175355 g/mol
    Monoisotopic Mass486.26175355 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity980
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1