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    Technical details about Trifluoromethyl Dechloro Ethylcloprostenolamide, learn more about the structure, uses, toxicity, action, side effects and more

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    Trifluoromethyl Dechloro Ethylcloprostenolamide

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 1005193-64-5, N-ethyl fluprostenol carboxamide, (5z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3r)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-n-ethyl-5-heptenamide, (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-n-ethylhept-5-enamide, Trifluoromethyldechloro, A850975
    Molecular Formula
    C25H34F3NO5
    Molecular Weight
    485.5  g/mol
    InChI Key
    GAAVJEMZITUZOC-XBUSSCQASA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-N-ethylhept-5-enamide
    2.1.2 InChI
    InChI=1S/C25H34F3NO5/c1-2-29-24(33)11-6-4-3-5-10-20-21(23(32)15-22(20)31)13-12-18(30)16-34-19-9-7-8-17(14-19)25(26,27)28/h3,5,7-9,12-14,18,20-23,30-32H,2,4,6,10-11,15-16H2,1H3,(H,29,33)/b5-3-,13-12+/t18-,20-,21-,22+,23-/m1/s1
    2.1.3 InChI Key
    GAAVJEMZITUZOC-XBUSSCQASA-N
    2.1.4 Canonical SMILES
    CCNC(=O)CCCC=CCC1C(CC(C1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O
    2.1.5 Isomeric SMILES
    CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1005193-64-5

    2. N-ethyl Fluprostenol Carboxamide

    3. (5z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(1e,3r)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]-1-buten-1-yl]cyclopentyl]-n-ethyl-5-heptenamide

    4. (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e,3r)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]-n-ethylhept-5-enamide

    5. Trifluoromethyldechloro

    6. A850975

    2.3 Create Date
    2011-03-28
    3 Chemical and Physical Properties
    Molecular Weight 485.5 g/mol
    Molecular Formula C25H34F3NO5
    XLogP33
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count12
    Exact Mass485.23890767 g/mol
    Monoisotopic Mass485.23890767 g/mol
    Topological Polar Surface Area99 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity669
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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