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    Fluocortin Butyl Ester

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Fluocortin butyl ester, Vaspit, 41767-29-7, Sh k 203, Sh-k-203, 6n7oa9mo7o
    Molecular Formula
    C26H35FO5
    Molecular Weight
    446.6  g/mol
    InChI Key
    XWTIDFOGTCVGQB-FHIVUSPVSA-N
    FDA UNII
    6N7OA9MO7O
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    butyl 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-oxoacetate
    2.1.2 InChI
    InChI=1S/C26H35FO5/c1-5-6-9-32-24(31)23(30)21-14(2)10-17-16-12-19(27)18-11-15(28)7-8-25(18,3)22(16)20(29)13-26(17,21)4/h7-8,11,14,16-17,19-22,29H,5-6,9-10,12-13H2,1-4H3/t14-,16+,17+,19+,20+,21-,22-,25+,26+/m1/s1
    2.1.3 InChI Key
    XWTIDFOGTCVGQB-FHIVUSPVSA-N
    2.1.4 Canonical SMILES
    CCCCOC(=O)C(=O)C1C(CC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)F)O)C)C
    2.1.5 Isomeric SMILES
    CCCCOC(=O)C(=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
    6N7OA9MO7O
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Fluocortin Butyl Ester

    2. Fluocortinbutyl

    3. Vaspit

    2.3.2 Depositor-Supplied Synonyms

    1. Fluocortin Butyl Ester

    2. Vaspit

    3. 41767-29-7

    4. Sh K 203

    5. Sh-k-203

    6. 6n7oa9mo7o

    7. Varlane

    8. Shk-203

    9. Butyl 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-oxoacetate

    10. Fluocortin Butyl (usan)

    11. Butyl 6alpha-fluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-oate

    12. Fluocortin Butyl [usan]

    13. Butyl6alpha-fluoro-11beta-hydroxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-21-oate

    14. Unii-6n7oa9mo7o

    15. Fluocortinbutyl

    16. Fluocortin Butyl [usan:ban]

    17. Einecs 255-543-8

    18. Schembl25218

    19. Fluocortin Butyl [mi]

    20. Chembl2105087

    21. Dtxsid60194590

    22. Fluocortin Butyl [mart.]

    23. Chebi:135728

    24. Fluocortin Butyl [who-dd]

    25. Zinc4213352

    26. 6-alpha-fluor-11-beta-hydroxy-16-alpha-methyl-3,20-dioxo-1,4-pregnadien-21-saure-butylester

    27. Butyl 6-alpha-fluoro-11-beta-hydroxy-16-alpha-methyl-3,20-dioxo-1,4-pregnadien-21-oate

    28. Hy-106567

    29. Cs-0026066

    30. D04217

    31. Q27265191

    32. Butyl 6.alpha.-fluoro-11.beta.-hydroxy-16.alpha.-methyl-3,20-dioxopregna-1,4-dien-21-oate

    33. Pregna-1,4-dien-21-oic Acid, 6-fluoro-11-hydroxy-16-methyl-3,20-dioxo-, Butyl Ester (6.alpha.,11.beta.,16.alpha.)-

    34. Pregna-1,4-dien-21-oic Acid, 6-fluoro-11-hydroxy-16-methyl-3,20-dioxo-, Butyl Ester (6alpha,11beta,16alpha)-

    2.4 Create Date
    2007-02-28
    3 Chemical and Physical Properties
    Molecular Weight 446.6 g/mol
    Molecular Formula C26H35FO5
    XLogP34.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass446.24685237 g/mol
    Monoisotopic Mass446.24685237 g/mol
    Topological Polar Surface Area80.7 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity877
    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

    Dermatologic Agents

    Drugs used to treat or prevent skin disorders or for the routine care of skin. (See all compounds classified as Dermatologic 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.)