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    Betamethasone Butyrate Propionate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5534-02-1, Betamethasone-17-butyrate-21-propionate, 50fh5ag9rw, [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate, Betamethasone butyrate propionate [jan], Antebate (tn)
    Molecular Formula
    C29H39FO7
    Molecular Weight
    518.6  g/mol
    InChI Key
    VXOWJCTXWVWLLC-REGDIAEZSA-N
    FDA UNII
    50FH5AG9RW
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
    2.1.2 InChI
    InChI=1S/C29H39FO7/c1-6-8-25(35)37-29(23(33)16-36-24(34)7-2)17(3)13-21-20-10-9-18-14-19(31)11-12-26(18,4)28(20,30)22(32)15-27(21,29)5/h11-12,14,17,20-22,32H,6-10,13,15-16H2,1-5H3/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1
    2.1.3 InChI Key
    VXOWJCTXWVWLLC-REGDIAEZSA-N
    2.1.4 Canonical SMILES
    CCCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)COC(=O)CC
    2.1.5 Isomeric SMILES
    CCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)COC(=O)CC
    2.2 Other Identifiers
    2.2.1 UNII
    50FH5AG9RW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5534-02-1

    2. Betamethasone-17-butyrate-21-propionate

    3. 50fh5ag9rw

    4. [(8s,9r,10s,11s,13s,14s,16s,17r)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] Butanoate

    5. Betamethasone Butyrate Propionate [jan]

    6. Antebate (tn)

    7. Betamethasone Butyrate Propionate (jan)

    8. Ncgc00183597-01

    9. Dsstox_cid_2671

    10. Unii-50fh5ag9rw

    11. Dsstox_rid_76682

    12. Dsstox_gsid_22671

    13. Schembl120208

    14. Betamethasone-butyrate-propionate

    15. Chembl1697785

    16. Dtxsid7022671

    17. Niosh/tu3838700

    18. Chebi:135815

    19. Hy-b0775

    20. Zinc3920457

    21. Tox21_113030

    22. Betamethasonebutyratepropionate

    23. Cs-7180

    24. Cas-5534-02-1

    25. Tu38387000

    26. Betamethasone Butyrate Propionate [mi]

    27. D02032

    28. Betamethasone 17-alpha-n-butyrate 21-propionate

    29. Betamethasone Butyrate Propionate [who-dd]

    30. Q27260787

    31. (+)-9-fluoro-11.beta.,17,21-trihydroxy-16.beta.-methylpregna-1,4-diene-3,20-dione 17-butyrate 21-propionate

    32. (+)-9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-butyrate 21-propionate

    33. (11beta,16beta)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxo-21-(propanoyloxy)pregna-1,4-dien-17-yl Butanoate

    34. 9-fluoro-11-hydroxy-16-methyl-17-(1-oxobutoxy)-21-(1-oxopropoxy)pregna-1,4-diene-3,20-dione (11beta,16beta)-

    35. Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17-(1-oxobutoxy)-21-(1-oxopropoxy)-, (11-beta,16-beta,17-alpha)-

    36. Pregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-16-methyl-17-(1-oxobutoxy)-21-(1-oxopropoxy)-, (11beta,16beta)-

    37. Pregna-1,4-diene-3,20-dione, 9-fluoro-11beta,17,21-trihydroxy-16beta-methyl-, 17-butyrate 21-propionate

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 518.6 g/mol
    Molecular Formula C29H39FO7
    XLogP33.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count9
    Exact Mass518.26798174 g/mol
    Monoisotopic Mass518.26798174 g/mol
    Topological Polar Surface Area107 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity1060
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1