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    DSSTox_CID_3422

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 1597-82-6, Haldrone, Paramethasone 21-acetate, [2-[(6s,8s,9s,10r,11s,13s,14s,16r,17r)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate, 8x50n88zdp, Monocortin
    Molecular Formula
    C24H31FO6
    Molecular Weight
    434.5  g/mol
    InChI Key
    HYRKAAMZBDSJFJ-LFDBJOOHSA-N
    FDA UNII
    8X50N88ZDP
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
    2.1.2 InChI
    InChI=1S/C24H31FO6/c1-12-7-16-15-9-18(25)17-8-14(27)5-6-22(17,3)21(15)19(28)10-23(16,4)24(12,30)20(29)11-31-13(2)26/h5-6,8,12,15-16,18-19,21,28,30H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21-,22+,23+,24+/m1/s1
    2.1.3 InChI Key
    HYRKAAMZBDSJFJ-LFDBJOOHSA-N
    2.1.4 Canonical SMILES
    CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)F
    2.1.5 Isomeric SMILES
    C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COC(=O)C)O)C)O)C)F
    2.2 Other Identifiers
    2.2.1 UNII
    8X50N88ZDP
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1597-82-6

    2. Haldrone

    3. Paramethasone 21-acetate

    4. [2-[(6s,8s,9s,10r,11s,13s,14s,16r,17r)-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Acetate

    5. 8x50n88zdp

    6. Monocortin

    7. Chebi:31963

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

    9. Cortidene

    10. Haldrate

    11. Sintecort

    12. Dilar

    13. Stemex

    14. 6alpha-fluoro-11beta,17alpha,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione Acetate

    15. Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-6-fluoro-11,17-dihydroxy-16-methyl-, (6a,11b,16a)-

    16. Acetate De Paramethasone

    17. Unii-8x50n88zdp

    18. Paramethasone Acetate [usan:jan]

    19. Ncgc00185748-01

    20. Haldrone (tn)

    21. Einecs 216-486-4

    22. Paramethazone Acetate

    23. Dsstox_cid_3422

    24. Schembl7126

    25. Dsstox_rid_77021

    26. Dsstox_gsid_23422

    27. 21-acetyl-6-alpha-fluoro-16-alpha-methylprednisolone

    28. 6-alpha-fluoro-16-alpha-methylprednisolone 21-acetate

    29. 16-alpha-methyl-6-alpha-fluoro-prednisolone-21-acetate

    30. Chembl1200342

    31. Dtxsid8023422

    32. Paramethasone Acetate (jan/usan)

    33. Paramethasone Acetate [jan]

    34. Zinc4214095

    35. Paramethasone Acetate [usan]

    36. Tox21_113132

    37. Lmst02030123

    38. Paramethasone Acetate [vandf]

    39. Paramethasone Acetate [mart.]

    40. Paramethasone Acetate [who-dd]

    41. Db14657

    42. Paramethasone 21-acetate [mi]

    43. 6alpha-fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate

    44. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-6-fluoro-11,17-dihydroxy-16-methyl-, (6.alpha.,11.beta.,16.alpha.)-

    45. Cas-1597-82-6

    46. Paramethasone Acetate [orange Book]

    47. Hy-107939

    48. Paramethasone Acetate [usp Impurity]

    49. Cs-0030945

    50. D01229

    51. 16alpha-methyl-6alpha-fluoroprednisolone 21-acetate

    52. Q27114737

    53. (6alpha,11beta,16alpha)-21-(acetyloxy)-6-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

    54. (6alpha,11beta,16alpha)-6-fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl Acetate

    55. 6.alpha.-fluoro-11.beta.,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione 21-acetate

    56. Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-6-fluoro-11,17-dihydroxy-16-methyl-, (6alpha,11beta,16alpha)-

    57. Pregna-1,4-diene-3,20-dione, 6-alpha-fluoro-11-beta,17,21-trihydroxy-16-alpha-methyl-, 21-acetate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 434.5 g/mol
    Molecular Formula C24H31FO6
    XLogP32.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass434.21046687 g/mol
    Monoisotopic Mass434.21046687 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity895
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1