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    Chemistry

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    Also known as: 58497-00-0, Rs-2362, D04s7vlm8q, 6alpha,9-difluoro-11beta-hydroxy-16alpha,17-[isopropylidenebis(oxy)]pregna-1,4-diene-3,20-dione 21-propionate, [2-[(1s,2s,4r,8s,9s,11s,12r,13s,19s)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] propanoate, Procinonida
    Molecular Formula
    C27H34F2O7
    Molecular Weight
    508.5  g/mol
    InChI Key
    UBOIMZIXNXGQOH-RTWVSBIPSA-N
    FDA UNII
    D04S7VLM8Q
    Procinonide
    1 2D Structure

    Procinonide

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] propanoate
    2.1.2 InChI
    InChI=1S/C27H34F2O7/c1-6-22(33)34-13-20(32)27-21(35-23(2,3)36-27)11-15-16-10-18(28)17-9-14(30)7-8-24(17,4)26(16,29)19(31)12-25(15,27)5/h7-9,15-16,18-19,21,31H,6,10-13H2,1-5H3/t15-,16-,18-,19-,21+,24-,25-,26-,27+/m0/s1
    2.1.3 InChI Key
    UBOIMZIXNXGQOH-RTWVSBIPSA-N
    2.1.4 Canonical SMILES
    CCC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(C5=CC(=O)C=CC54C)F)F)O)C)OC(O2)(C)C
    2.1.5 Isomeric SMILES
    CCC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)C=C[C@@]54C)F)F)O)C)OC(O2)(C)C
    2.2 Other Identifiers
    2.2.1 UNII
    D04S7VLM8Q
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 58497-00-0

    2. Rs-2362

    3. D04s7vlm8q

    4. 6alpha,9-difluoro-11beta-hydroxy-16alpha,17-[isopropylidenebis(oxy)]pregna-1,4-diene-3,20-dione 21-propionate

    5. [2-[(1s,2s,4r,8s,9s,11s,12r,13s,19s)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] Propanoate

    6. Procinonida

    7. Procinonidum

    8. 6alpha,9-difluoro-11beta-hydroxy-16alpha,17-(isopropylidenebis(oxy))pregna-1,4-diene-3,20-dione 21-propionate

    9. Procinonide [usan:inn]

    10. Procinonidum [inn-latin]

    11. Unii-d04s7vlm8q

    12. Procinonida [inn-spanish]

    13. Einecs 261-289-9

    14. Fluocinolone Acetonide 21-propionate

    15. Procinonide [inn]

    16. Procinonide (usan/inn)

    17. Procinonide [usan]

    18. Schembl8410

    19. Procinonide [mart.]

    20. Procinonide [who-dd]

    21. Chembl2106554

    22. Dtxsid501024163

    23. Zinc4214190

    24. 6alpha,9-difluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione Cyclic 16,17-acetal With Acetone, 21-propionate

    25. D05616

    26. Q27275923

    27. 6.alpha.,9-difluoro-11.beta.,16.alpha.,17,21-tetrahydroxypregna-1,4-diene-3,20-dione Cyclic 16,17-acetal With Acetone, 21-propionate

    28. Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-(1-oxopropoxy)-, (6.alpha.,11.beta.,16.alpha)-

    29. Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-21-(1-oxopropoxy)-, (6alpha,11beta,16alpha)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 508.5 g/mol
    Molecular Formula C27H34F2O7
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass508.22725974 g/mol
    Monoisotopic Mass508.22725974 g/mol
    Topological Polar Surface Area99.1 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity1080
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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