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    Fluocortolone Caproate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 303-40-2, Fluocortolone 21-hexanoate, Fluocortolone hexanoate, Sh 770, Fluocortolone caproate [usan], Einecs 206-140-0
    Molecular Formula
    C28H39FO5
    Molecular Weight
    474.6  g/mol
    InChI Key
    WHZRCUIISKRTJL-YTZKRAOUSA-N
    FDA UNII
    90893P8662
    A glucocorticoid with anti-inflammatory activity used topically for various skin disorders.
    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,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate
    2.1.2 InChI
    InChI=1S/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3/t16-,18+,19+,21+,22+,25-,26-,27+,28+/m1/s1
    2.1.3 InChI Key
    WHZRCUIISKRTJL-YTZKRAOUSA-N
    2.1.4 Canonical SMILES
    CCCCCC(=O)OCC(=O)C1C(CC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)F)O)C)C
    2.1.5 Isomeric SMILES
    CCCCCC(=O)OCC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    90893P8662
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Caproate, Fluocortolone

    2. Fluocortolone

    3. Fluocortolone Pivalate

    4. Pivalate, Fluocortolone

    5. Ultralan

    2.3.2 Depositor-Supplied Synonyms

    1. 303-40-2

    2. Fluocortolone 21-hexanoate

    3. Fluocortolone Hexanoate

    4. Sh 770

    5. Fluocortolone Caproate [usan]

    6. Einecs 206-140-0

    7. Unii-90893p8662

    8. 6alpha-fluoro-11beta,21-dihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-hexanoate

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

    10. Fluocortolone Caproate (usan)

    11. 90893p8662

    12. Ficoid

    13. Fluocoutolone Hexanoate

    14. Ultralanum

    15. F1uocorto1one Caproate

    16. Schembl2107766

    17. Chembl2107415

    18. C28h39fo5

    19. Dtxsid30184387

    20. Fluocortolone 21-caproate

    21. Chebi:177866

    22. C28-h39-f-o5

    23. Sh-770

    24. Fluocortolone Caproate [mart.]

    25. Fluocortolone Caproate [who-dd]

    26. Fluocortolone 21-hexanoate [mi]

    27. D04219

    28. Q27271302

    29. [2-[(6s,8s,9s,10r,11s,13s,14s,16r,17s)-6-luoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] Hexanoate

    30. 6.alpha.-fluoro-11.beta.-hydroxy-21-hexanoyloxy-16.alpha.-methylpregna-1,4-diene-3,20-dione

    31. Hexanoic Acid, 21-ester With 6.alpha.-fluoro-11.beta.,21-dihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione

    32. Pregna-1,4-diene-3,20-dione, 6-fluoro-11,21-dihydroxy-16-methyl-21-((1-oxohexyl)oxy)-, (6alpha,11beta,16alpha)-

    33. Pregna-1,4-diene-3,20-dione, 6-fluoro-11-hydroxy-16-methyl-21-((1-oxohexyl)oxy)-, (6.alpha.,11.beta.,16.alpha.)-

    34. Pregna-1,4-diene-3,20-dione, 6.alpha.-fluoro-11.beta.,21-dihydroxy-16.alpha.-methyl-, 21-hexanoate

    2.3.3 Other Synonyms

    1. Caproate, Fluocortolone

    2. Fluocortolon

    3. Fluorcortolone

    4. Fluorocortolone

    5. Fluocortolone

    6. Flucortolone

    7. Ultralan

    2.4 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 474.6 g/mol
    Molecular Formula C28H39FO5
    XLogP34.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area80.7
    Heavy Atom Count34
    Formal Charge0
    Complexity909
    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.)

    Glucocorticoids

    A group of CORTICOSTEROIDS that affect carbohydrate metabolism (GLUCONEOGENESIS, liver glycogen deposition, elevation of BLOOD SUGAR), inhibit ADRENOCORTICOTROPIC HORMONE secretion, and possess pronounced anti-inflammatory activity. They also play a role in fat and protein metabolism, maintenance of arterial blood pressure, alteration of the connective tissue response to injury, reduction in the number of circulating lymphocytes, and functioning of the central nervous system. (See all compounds classified as Glucocorticoids.)