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    Halometasone

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    2D Structure
    Also known as: 50629-82-8, 2-chloroflumethasone, Halometasone [inn], Halometasone monohydrate, Halometasone hydrate, J69z9uu41z
    Molecular Formula
    C22H27ClF2O5
    Molecular Weight
    444.9  g/mol
    InChI Key
    GGXMRPUKBWXVHE-MIHLVHIWSA-N
    FDA UNII
    J69Z9UU41Z
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6S,8S,9R,10S,11S,13S,14S,16R,17R)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
    2.1.2 InChI
    InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11+,12+,15+,17+,19+,20+,21+,22+/m1/s1
    2.1.3 InChI Key
    GGXMRPUKBWXVHE-MIHLVHIWSA-N
    2.1.4 Canonical SMILES
    CC1CC2C3CC(C4=CC(=O)C(=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C)Cl)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@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)Cl)F
    2.2 Other Identifiers
    2.2.1 UNII
    J69Z9UU41Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-chloro-6alpha, 9-difluoro-11beta, 17,21-trihydroxy-16alpha-methylpregna-1,4-dien-3,20-dione

    2. C 48,401-ba

    3. C-48,401-ba

    4. Halometasone Monohydrate

    5. Sicorten

    2.3.2 Depositor-Supplied Synonyms

    1. 50629-82-8

    2. 2-chloroflumethasone

    3. Halometasone [inn]

    4. Halometasone Monohydrate

    5. Halometasone Hydrate

    6. J69z9uu41z

    7. Halometasone (inn)

    8. Pregna-1,4-diene-3,20-dione, 2-chloro-6,9-difluoro-11,17,21-trihydroxy-16-methyl-, (6alpha,11beta,16alpha)-

    9. Halometasona

    10. Halometasonum

    11. Smr000466330

    12. Halometasonum [inn-latin]

    13. Halometasona [inn-spanish]

    14. Unii-j69z9uu41z

    15. (6s,8s,9r,10s,11s,13s,14s,16r,17r)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

    16. Einecs 256-664-9

    17. Halometasone [mi]

    18. Schembl4872

    19. Halometasone [mart.]

    20. Mls000759439

    21. Mls001424089

    22. Halometasone [who-dd]

    23. Chembl1587228

    24. Dtxsid1048382

    25. Chebi:135724

    26. Hms2051c16

    27. Hms2232n17

    28. Zinc3938673

    29. Akos025402048

    30. Ac-3528

    31. Ccg-100880

    32. Db13728

    33. Nc00130

    34. 2-chlor-6alpha,9-difluor-11beta,17,21-trihydroxy-16alpha-methyl-1,4-pregnadien-3,20-dion

    35. As-78199

    36. Cs-0453061

    37. D07202

    38. Ab00639905-06

    39. 629h828

    40. Q-101370

    41. Q10910139

    42. (6s,8s,9r,10s,11s,13s,14s,16r,17r)-2-chloro-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3h-cyclopenta[a]phenanthren-3-one

    43. 2-chloro-6.alpha.,9-difluoro-11.beta.,17,21-trihydroxy-16.alpha.-methylpregna-1,4-diene-3,20-dione

    44. 2-chloro-6alpha,9-difluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 444.9 g/mol
    Molecular Formula C22H27ClF2O5
    XLogP32.6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass444.1515080 g/mol
    Monoisotopic Mass444.1515080 g/mol
    Topological Polar Surface Area94.8 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity889
    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.)

    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.)

    4.2 ATC Code

    D - Dermatologicals

    D07 - Corticosteroids, dermatological preparations

    D07A - Corticosteroids, plain

    D07AC - Corticosteroids, potent (group iii)

    D07AC12 - Halometasone