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    Methylprednisolone Aceponate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

    PharmaCompass
    $ API Ref.Price (USD/KG) : 9,119Xls

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    2D Structure
    Also known as: 86401-95-8, Advantan, Methylprednisolone aceponate [inn], Sh-440, Et54w9j4u2, Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6a,11b)-
    Molecular Formula
    C27H36O7
    Molecular Weight
    472.6  g/mol
    InChI Key
    DALKLAYLIPSCQL-YPYQNWSCSA-N
    FDA UNII
    ET54W9J4U2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate
    2.1.2 InChI
    InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1
    2.1.3 InChI Key
    DALKLAYLIPSCQL-YPYQNWSCSA-N
    2.1.4 Canonical SMILES
    CCC(=O)OC1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)C(=O)COC(=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]2C[C@@H](C4=CC(=O)C=C[C@]34C)C)O)C)C(=O)COC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    ET54W9J4U2
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 6alpha-methylprednisolone Aceponate

    2. Advantan

    3. Adventan

    4. Lexxema

    2.3.2 Depositor-Supplied Synonyms

    1. 86401-95-8

    2. Advantan

    3. Methylprednisolone Aceponate [inn]

    4. Sh-440

    5. Et54w9j4u2

    6. Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6a,11b)-

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

    8. (6s,8s,9s,10r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl Propionate

    9. Methylprednisolone Aceponate (inn)

    10. Aceponato De Metilprednisolona [spanish]

    11. Methylprednisoloni Aceponas [latin]

    12. Methylprednisoloni Aceponas

    13. Zk91588

    14. Brn 5663614

    15. Unii-et54w9j4u2

    16. Aceponate De Methylprednisolone [french]

    17. Aceponato De Metilprednisolona

    18. Aceponate De Methylprednisolone

    19. Advantan (tn)

    20. Methylprednisolone-aceponate

    21. Schembl3466

    22. 11beta,17,21-trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione, 21-acetate 17-propionate

    23. Chembl1697782

    24. Dtxsid2023301

    25. 6?-methyl Prednisolone Aceponate

    26. Chebi:135762

    27. Zinc4213828

    28. Mfcd00866150

    29. Akos016003120

    30. Ac-6842

    31. Db14643

    32. Methylprednisolone Aceponate [mi]

    33. Ncgc00510142-01

    34. Ds-18010

    35. Methylprednisolone Aceponate [jan]

    36. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-11-hydroxy-6-methyl-17-(1-oxopropoxy)-, (6-alpha,11-beta)-

    37. Zk-91588

    38. 6.alpha.-methylprednisolone Aceponate

    39. Methylprednisolone Aceponate [who-dd]

    40. 6-.alpha.-methylprednisolone Aceponate

    41. D07203

    42. 401m958

    43. A841638

    44. Q6824052

    45. 21-acetoxy-11beta-hydroxy-6alpha-methyl-17-propionyloxy-1,4-pregnadiene-3,20-dione

    46. (6alpha,11beta)-21-(acetyloxy)-11-hydroxy-6-methyl-3,20-dioxopregna-1,4-dien-17-yl Propanoate

    47. (6s,8s,9r,11s,13s,14s,17r)-17-(2-acetoxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl Propionate

    48. 11.beta.,17,21-trihydroxy-6.alpha.-methylpregna-1,4-diene-3,20-dione, 21-acetate 17-propionate

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 472.6 g/mol
    Molecular Formula C27H36O7
    XLogP33.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass472.24610348 g/mol
    Monoisotopic Mass472.24610348 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity980
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-Inflammatory Agents

    Substances that reduce or suppress INFLAMMATION. (See all compounds classified as Anti-Inflammatory Agents.)

    4.2 ATC Code

    H02AB04

    S76 | LUXPHARMA | Pharmaceuticals Marketed in Luxembourg | Pharmaceuticals marketed in Luxembourg, as published by d'Gesondheetskeess (CNS, la caisse nationale de sante, www.cns.lu), mapped by name to structures using CompTox by R. Singh et al. (in prep.). List downloaded from https://cns.public.lu/en/legislations/textes-coordonnes/liste-med-comm.html. Dataset DOI:10.5281/zenodo.4587355

    D - Dermatologicals

    D07 - Corticosteroids, dermatological preparations

    D07A - Corticosteroids, plain

    D07AC - Corticosteroids, potent (group iii)

    D07AC14 - Methylprednisolone aceponate