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    Flurogestone Acetate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2529-45-5, Flugestone 17-acetate, Fluorogestone acetate, Flugestone acetate, Flurogestone acetate [usan], Sc-9880
    Molecular Formula
    C23H31FO5
    Molecular Weight
    406.5  g/mol
    InChI Key
    JKQQZJHNUVDHKP-FQJIPJFPSA-N
    FDA UNII
    X60881643X
    A synthetic fluorinated steroid that is used as a progestational hormone.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
    2.1.2 InChI
    InChI=1S/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1
    2.1.3 InChI Key
    JKQQZJHNUVDHKP-FQJIPJFPSA-N
    2.1.4 Canonical SMILES
    CC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)OC(=O)C
    2.1.5 Isomeric SMILES
    CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)OC(=O)C
    2.2 Other Identifiers
    2.2.1 UNII
    X60881643X
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 17 Beta Acetoxy 9 Fluoro 11 Beta Hydroxyprogesterone

    2. 17 Beta-acetoxy-9-fluoro-11 Beta-hydroxyprogesterone

    3. Acetate, Flugestone

    4. Acetate, Fluorogestone

    5. Acetate, Flurogestone

    6. Beta-acetoxy-9-fluoro-11 Beta-hydroxyprogesterone, 17

    7. Beta-hydroxyprogesterone, 17 Beta-acetoxy-9-fluoro-11

    8. Cronolone

    9. Flugestone

    10. Flugestone Acetate

    11. Fluorogestone Acetate

    12. Flurogestone

    2.3.2 Depositor-Supplied Synonyms

    1. 2529-45-5

    2. Flugestone 17-acetate

    3. Fluorogestone Acetate

    4. Flugestone Acetate

    5. Flurogestone Acetate [usan]

    6. Sc-9880

    7. Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11b)-

    8. [(8s,9r,10s,11s,13s,14s,17r)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] Acetate

    9. Chebi:79932

    10. Nsc-65411

    11. Gyncro-mate

    12. 9-fluoro-11beta,17-dihydroxypregn-4-ene-3,20-dione 17-acetate

    13. X60881643x

    14. Flurogestone Acetate (usan)

    15. Synchro-mate

    16. Fga

    17. Fluorogesterone Acetate

    18. Nsc 65411

    19. Unii-x60881643x

    20. Ncgc00160534-01

    21. Einecs 219-776-9

    22. Brn 3123549

    23. Dsstox_cid_26210

    24. Dsstox_rid_81438

    25. Dsstox_gsid_46210

    26. 4-08-00-02904 (beilstein Handbook Reference)

    27. Schembl281972

    28. 9alpha-fluoro-11-hydroxy,17alpha-acetoxy Progesterone

    29. Chembl2106773

    30. Dtxsid6046210

    31. Flurogestone Acetate [mi]

    32. Flugestone Acetate [mart.]

    33. Zinc4213372

    34. Tox21_111878

    35. Akos015896293

    36. Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11.beta.)-

    37. Am84839

    38. Flurogestone Acetate [green Book]

    39. Cas-2529-45-5

    40. D04235

    41. 529f455

    42. A817767

    43. Q5462900

    44. 9alpha-fluoro-11-hydroxy,17alpha-acetoxyprogesterone

    45. (11beta)17-(acetyloxy)-9-fluoro-11-hydroxypregn-4-ene-3,20-dione

    46. 9-fluoro-11.beta.,17-dihydroxypregn-4-ene-3,20-dione 17-acetate

    47. Pregn-4-ene-3,20-dione, 17-(acetyloxy)-9-fluoro-11-hydroxy-, (11beta)-

    48. Pregn-4-ene-3,20-dione, 9-fluoro-11-beta,17-dihydroxy-, 17-acetate

    49. [(8s,9r,10s,11s,13s,14s,17r)-17-ethanoyl-9-fluoranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] Ethanoate

    50. Acetic Acid [(8s,9r,10s,11s,13s,14s,17r)-17-acetyl-9-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] Ester

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 406.5 g/mol
    Molecular Formula C23H31FO5
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass406.21555225 g/mol
    Monoisotopic Mass406.21555225 g/mol
    Topological Polar Surface Area80.7 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity820
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    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

    Progestins

    Compounds that interact with PROGESTERONE RECEPTORS in target tissues to bring about the effects similar to those of PROGESTERONE. Primary actions of progestins, including natural and synthetic steroids, are on the UTERUS and the MAMMARY GLAND in preparation for and in maintenance of PREGNANCY. (See all compounds classified as Progestins.)