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    9alpha-Fluoroprednisolone acetate

    ACTIVE PHARMA INGREDIENTS

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    $ API Ref.Price (USD/KG) : 10,275Xls

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    2D Structure
    Also known as: 338-98-7, Predef, 9-fluoroprednisolone acetate, Biorinil, Isoflupredone 21-acetate, U-6013
    Molecular Formula
    C23H29FO6
    Molecular Weight
    420.5  g/mol
    InChI Key
    ZOCUOMKMBMEYQV-GSLJADNHSA-N
    FDA UNII
    55P9TUL75S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    2.1.2 InChI
    InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1
    2.1.3 InChI Key
    ZOCUOMKMBMEYQV-GSLJADNHSA-N
    2.1.4 Canonical SMILES
    CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)O
    2.1.5 Isomeric SMILES
    CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)O
    2.2 Other Identifiers
    2.2.1 UNII
    55P9TUL75S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 9 Alpha-fluoroprednisolone 21-acetate

    2. Biorinil

    3. Biorinil, (6alpha,11beta)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 338-98-7

    2. Predef

    3. 9-fluoroprednisolone Acetate

    4. Biorinil

    5. Isoflupredone 21-acetate

    6. U-6013

    7. Predef 2x

    8. 9-fluorprednisolone Acetate

    9. 21-acetoxy-9-fluoro-11b,17-dihydroxypregna-1,4-diene-3,20-dione

    10. U 6013

    11. 9alpha-fluoroprednisolone Acetate

    12. Nsc-12600

    13. Nsc-37977

    14. 9-fluoroprednisolone 21-acetate

    15. Mls002154168

    16. 55p9tul75s

    17. Chebi:34517

    18. Prednisolone, 21-acetate

    19. 9-fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

    20. 9alpha-fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

    21. Dsstox_cid_25306

    22. Dsstox_rid_80792

    23. Dsstox_gsid_45306

    24. 2-((8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl Acetate

    25. Predef, Veterinary

    26. Prednisolone, 9-fluoro-, 21-acetate

    27. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11beta)-

    28. Predef (veterinary)

    29. Predef R 2x

    30. Mls002701905

    31. Nsc 12600

    32. Nsc 37977

    33. Unii-55p9tul75s

    34. Isoflupredone Acetate [usan]

    35. 9.alpha.-fluoroprednisolone Acetate

    36. Nsc12600

    37. Nsc37977

    38. 9-fluoro-11.beta.,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

    39. Pregna-1,20-dione, 9-fluoro-11.beta.,17,21-trihydroxy-, 21-acetate

    40. Pregna-1,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11.beta.)-

    41. 9.alpha.-fluoroprednisolone 21-acetate

    42. Isoflupredone Acetate [usan:usp]

    43. Ncgc00016433-01

    44. 7793-38-6

    45. Cas-338-98-7

    46. Einecs 206-423-9

    47. Isoflupredone-acetate

    48. Prestwick0_000006

    49. Prestwick1_000006

    50. Prestwick2_000006

    51. Prestwick3_000006

    52. Isoflupredone Acetate (usp)

    53. Schembl42746

    54. Bspbio_000011

    55. [2-[(8s,9r,10s,11s,13s,14s,17r)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Acetate

    56. Spbio_001932

    57. Bpbio1_000013

    58. Chembl1608183

    59. Dtxsid3045306

    60. Hms1568a13

    61. Hms2095a13

    62. Hms2230o19

    63. Hms3712a13

    64. Bcp11877

    65. Zinc4213604

    66. Tox21_110437

    67. 9alpha-fluoroprednisolone 21-acetate

    68. Isoflupredone Acetate [mart.]

    69. Akos025402238

    70. Isoflupredone Acetate [usp-rs]

    71. Isoflupredone Acetate [who-dd]

    72. Tox21_110437_1

    73. Ac-6833

    74. Ccg-220006

    75. Db14640

    76. Isoflupredone 21-acetate [mi]

    77. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-9-fluoro-11,17-dihydroxy-, (11.beta.)-

    78. Ncgc00179685-01

    79. Ncgc00179685-03

    80. As-71583

    81. Isoflupredone Acetate [green Book]

    82. Nci60_000602

    83. Nci60_003588

    84. Smr001233466

    85. Hy-134116

    86. Ab00513794

    87. Cs-0138171

    88. Isoflupredone Acetate [usp Monograph]

    89. D04627

    90. W18771

    91. 338i987

    92. Q-101369

    93. Q27116126

    94. 21-acetoxy-9-fluoro-11?,17-dihydroxypregna-1,4-diene-3,20-dione

    95. 21-acetoxy-9-fluoro-11beta,17-dihydroxypregna-1,4-diene-3,20-dione

    96. 9-fluoro-11.beta.,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate

    97. Pregna-1,4-diene-3,20-dione, 9-fluoro-11-beta,17,21-trihydroxy-, 21-acetate

    98. Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-, 21-acetate

    99. Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-, 21-acetate (6ci,7ci,8ci)

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 420.5 g/mol
    Molecular Formula C23H29FO6
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass420.19481680 g/mol
    Monoisotopic Mass420.19481680 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity879
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1