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    Chemistry

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    Also known as: 14899-36-6, Dexamethasone 21-palmitate, 601xwn7060, Dtxsid8022903, Nova63035, 9-fluoro-11,17-dihydroxy-16-methyl-21-((1-oxohexadecyl)oxy)pregna-1,4-diene-3,20-dione (11beta,16alpha)-
    Molecular Formula
    C38H59FO6
    Molecular Weight
    630.9  g/mol
    InChI Key
    WDPYZTKOEFDTCU-WDJQFAPHSA-N
    FDA UNII
    601XWN7060
    Dexamethasone Palmitate
    a liposteroid for treatment of hemophagocytic lymphohistiocytosis
    1 2D Structure

    Dexamethasone Palmitate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexadecanoate
    2.1.2 InChI
    InChI=1S/C38H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-34(43)45-26-33(42)38(44)27(2)23-31-30-20-19-28-24-29(40)21-22-35(28,3)37(30,39)32(41)25-36(31,38)4/h21-22,24,27,30-32,41,44H,5-20,23,25-26H2,1-4H3/t27-,30+,31+,32+,35+,36+,37+,38+/m1/s1
    2.1.3 InChI Key
    WDPYZTKOEFDTCU-WDJQFAPHSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    601XWN7060
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Dexamethasone 21-palmitate

    2.3.2 Depositor-Supplied Synonyms

    1. 14899-36-6

    2. Dexamethasone 21-palmitate

    3. 601xwn7060

    4. Dtxsid8022903

    5. Nova63035

    6. 9-fluoro-11,17-dihydroxy-16-methyl-21-((1-oxohexadecyl)oxy)pregna-1,4-diene-3,20-dione (11beta,16alpha)-

    7. Refchem:132373

    8. Dtxcid202903

    9. Limethason

    10. Dexamethasone Palmitate [jan]

    11. [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Hexadecanoate

    12. C38h59fo6

    13. Dexamethasone Palmitate (jan)

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

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

    16. Brn 6031847

    17. Mfcd01698988

    18. Unii-601xwn7060

    19. Limethason (tn)

    20. Nova-63035

    21. Schembl93887

    22. Orb1308392

    23. Orb3025698

    24. Chebi:31471

    25. Msk159619

    26. S5184

    27. Akos040741625

    28. Fd21400

    29. Msk159619-100a

    30. Dexamethasone Palmitate [who-dd]

    31. Ncgc00522021-01

    32. Da-62804

    33. Ms-30856

    34. Palmitic Acid, 21-ester With 9-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

    35. Pregna-1,4-diene-3,20-dione, 9-fluoro-11,17-dihydroxy-16-methyl-21-((1-oxohexadecyl)oxy)-, (11beta,16alpha)-

    36. Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-palmitate

    37. Sy357842

    38. Hy-128922

    39. Cs-0102469

    40. D01615

    41. G13029

    42. Q27263139

    43. Dexamethasone Palmitate Solution In Acetonitrile, 100ug/ml

    44. 9-fluoro-11beta,17-dihydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-yl Hexadecanoate

    45. (11b,16a)-9-fluoro-11,17-dihydroxy-16-methyl-21-[(1-oxohexadecyl)oxy]pregna-1,4-diene-3,20-dione

    46. (11beta,16alpha)-9-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl Hexadecanoate

    47. [2-[(8s,9r,10s,11s,13s,14s,16r,17r)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] Hexadecanoate

    48. 9-fluoro-11,17-dihydroxy-16-methyl-21-((1- Oxohexadecyl)oxy)pregna-1,4-diene-3,20-dione (11.beta.,16.alpha.)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 630.9 g/mol
    Molecular Formula C38H59FO6
    XLogP39.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count18
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area101
    Heavy Atom Count45
    Formal Charge0
    Complexity1130
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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