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Coral Diflucortolone Valerate Coral Diflucortolone Valerate

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    Technical details about Diflucortolone Valerate, learn more about the structure, uses, toxicity, action, side effects and more

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    Diflucortolone Valerate

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    2D Structure
    1. Also known as: 59198-70-8, Diflucortolone 21-valerate, Diflucortolone valerate [jan], Nerisona, [2-[(6s,8s,9r,10s,11s,13s,14s,16r,17s)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate, Nerisone
    Molecular Formula
    C27H36F2O5
    Molecular Weight
    478.6  g/mol
    InChI Key
    HHJIUUAMYGBVSD-YTFFSALGSA-N
    FDA UNII
    1A63Z067C8
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
    2.1.2 InChI
    InChI=1S/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25+,26+,27+/m1/s1
    2.1.3 InChI Key
    HHJIUUAMYGBVSD-YTFFSALGSA-N
    2.1.4 Canonical SMILES
    CCCCC(=O)OCC(=O)C1C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C
    2.1.5 Isomeric SMILES
    CCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    1A63Z067C8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Claral

    2. Nerisona

    3. Nerisone

    4. Nerisone Forte

    5. Temetex

    2.3.2 Depositor-Supplied Synonyms

    1. 59198-70-8

    2. Diflucortolone 21-valerate

    3. Diflucortolone Valerate [jan]

    4. Nerisona

    5. [2-[(6s,8s,9r,10s,11s,13s,14s,16r,17s)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Pentanoate

    6. Nerisone

    7. Temetex

    8. Texmeten

    9. 1a63z067c8

    10. Afusona

    11. Dsstox_cid_28524

    12. Dsstox_rid_82796

    13. Dsstox_gsid_48598

    14. Difluocortolone Valerianate

    15. Difluocortolone Valerate

    16. Cas-59198-70-8

    17. Diflucortolonevalerate

    18. Diflucortolonvalerianat

    19. Diflucortolonvalerianat [german]

    20. Einecs 261-655-8

    21. Brn 2030579

    22. Unii-1a63z067c8

    23. Ncgc00183100-01

    24. Afusona (tn)

    25. Diflucortolon Valerate

    26. Schembl3015

    27. 6-alpha,9-difluoro-11-beta-hydroxy-16-alpha-methyl-21-valeryloxy-1,4-pregnadiene-3,20-dione

    28. 6-alpha,9-difluoro-11-beta-hydroxy-21-valeryloxy-16-alpha-methyl-1,4-pregnadiene-3,20-dione

    29. 6alpha,9-difluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-valerate

    30. Chembl2358130

    31. Diflucortolone Valerate (jp17)

    32. Dtxsid1048598

    33. Chebi:31484

    34. Zinc4212943

    35. Tox21_112929

    36. Hy-u00058

    37. S5414

    38. Diflucortolone Valerate Assay Standard

    39. Akos015901782

    40. Tox21_112929_1

    41. Ccg-269528

    42. Diflucortolone Valerate [mart.]

    43. Diflucortolone Valerate [who-dd]

    44. Diflucortolone Valerate Impurity Standard

    45. Diflucortolone 21-valerate [mi]

    46. Ncgc00263574-01

    47. Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11-hydroxy-16-methyl-21-((1-oxopentyl)oxy)-, (6-alpha,11-beta,16-alpha)-

    48. Cs-0021944

    49. D01764

    50. E86978

    51. 198d708

    52. Q-200986

    53. Q10860261

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 478.6 g/mol
    Molecular Formula C27H36F2O5
    XLogP34.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass478.25308057 g/mol
    Monoisotopic Mass478.25308057 g/mol
    Topological Polar Surface Area80.7 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity943
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    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.)

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