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    Technical details about 1107-99-9, learn more about the structure, uses, toxicity, action, side effects and more

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    1107-99-9

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    GLOBAL SALES INFORMATION

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

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    2D Structure
    1. Also known as: 1107-99-9, Mecortolon, Prednisolone 21-pivalate, Prednisolone 21-trimethylacetate, Prednisolone trimethylacetate, 24w6s37nxu
    Molecular Formula
    C26H36O6
    Molecular Weight
    444.6  g/mol
    InChI Key
    PHEOVVDXTQVHAZ-XDANTLIUSA-N
    FDA UNII
    24W6S37NXU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate
    2.1.2 InChI
    InChI=1S/C26H36O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-19,21,28,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,19-,21+,24-,25-,26-/m0/s1
    2.1.3 InChI Key
    PHEOVVDXTQVHAZ-XDANTLIUSA-N
    2.1.4 Canonical SMILES
    CC12CC(C3C(C1CCC2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=CC34C)O
    2.1.5 Isomeric SMILES
    C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)COC(=O)C(C)(C)C)O)CCC4=CC(=O)C=C[C@]34C)O
    2.2 Other Identifiers
    2.2.1 UNII
    24W6S37NXU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Mecortolon

    2. Prednisolone 21-trimethylacetate

    2.3.2 Depositor-Supplied Synonyms

    1. 1107-99-9

    2. Mecortolon

    3. Prednisolone 21-pivalate

    4. Prednisolone 21-trimethylacetate

    5. Prednisolone Trimethylacetate

    6. 24w6s37nxu

    7. [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2-dimethylpropanoate

    8. Ultracorterenol

    9. Ultracortenol

    10. Vecortenol

    11. Unii-24w6s37nxu

    12. Einecs 214-172-1

    13. Ultracortenol (tn)

    14. Prednisolon-21-pivalat

    15. Schembl140122

    16. Dtxsid60149363

    17. Bcp15089

    18. Zinc3882060

    19. Prednisolone Pivalate [mart.]

    20. Akos015969755

    21. Prednisolone Pivalate [who-dd]

    22. Pregna-1,4-diene-3,20-dione, 11.beta.,17,21-trihydroxy-, 21-pivalate

    23. Pregna-1,4-diene-3,20-dione, 21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxy-, (11.beta.)-

    24. Prednisolone Pivalate [ep Impurity]

    25. Prednisolone Pivalate [ep Monograph]

    26. D08412

    27. 107p999

    28. Q27253881

    29. 11.beta.,17.alpha.-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl Pivalate

    30. (11.beta.)-21-(2,2-dimethyl-1-oxopropoxy)-11,17-dihydroxypregna-1,4-diene-3,20-dione

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 444.6 g/mol
    Molecular Formula C26H36O6
    XLogP33.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass444.25118886 g/mol
    Monoisotopic Mass444.25118886 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity910
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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