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    Technical details about Ticabesone Propionate, learn more about the structure, uses, toxicity, action, side effects and more

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    Ticabesone Propionate

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    1. Also known as:
    Molecular Formula
    C25H32F2O5S
    Molecular Weight
    482.6  g/mol
    InChI Key
    DRXCUKXWTNOXTD-ZXBFXRLQSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(6S,8S,9R,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-methylsulfanylcarbonyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
    2.1.2 InChI
    InChI=1S/C25H32F2O5S/c1-6-20(30)32-25(21(31)33-5)13(2)9-15-16-11-18(26)17-10-14(28)7-8-22(17,3)24(16,27)19(29)12-23(15,25)4/h7-8,10,13,15-16,18-19,29H,6,9,11-12H2,1-5H3/t13-,15+,16+,18+,19+,22?,23+,24+,25+/m1/s1
    2.1.3 InChI Key
    DRXCUKXWTNOXTD-ZXBFXRLQSA-N
    2.1.4 Canonical SMILES
    CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SC
    2.1.5 Isomeric SMILES
    CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SC
    2.2 Create Date
    2013-04-19
    3 Chemical and Physical Properties
    Molecular Weight 482.6 g/mol
    Molecular Formula C25H32F2O5S
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass482.19385161 g/mol
    Monoisotopic Mass482.19385161 g/mol
    Topological Polar Surface Area106 A^2
    Heavy Atom Count33
    Formal Charge0
    Complexity964
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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