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    Isopropyl Unoprostone

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    RELATED EXCIPIENT COMPANIES

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    2D Structure
    Also known as: Schembl5971186, 13,14-dihydro-15-keto-20-ethyl prostaglandin f2alpha isopropyl ester, Zinc8214704, Pdsp2_001706, Akos015896654, Ac-6094
    Molecular Formula
    C25H44O5
    Molecular Weight
    424.6  g/mol
    InChI Key
    XXUPXHKCPIKWLR-IZYGNDRDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
    2.1.2 InChI
    InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8+/t21-,22-,23+,24-/m1/s1
    2.1.3 InChI Key
    XXUPXHKCPIKWLR-IZYGNDRDSA-N
    2.1.4 Canonical SMILES
    CCCCCCCC(=O)CCC1C(CC(C1CC=CCCCC(=O)OC(C)C)O)O
    2.1.5 Isomeric SMILES
    CCCCCCCC(=O)CC[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C/CCCC(=O)OC(C)C)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl5971186

    2. 13,14-dihydro-15-keto-20-ethyl Prostaglandin F2alpha Isopropyl Ester

    3. Zinc8214704

    4. Pdsp2_001706

    5. Akos015896654

    6. Ac-6094

    7. J-004323

    8. 9alpha,11alpha-dihydroxy-13,14-dihydro-15-oxo-20a,20b-dihomoprost-5z-en-1-oic Acid, Isopropyl Ester

    2.2.2 Other Synonyms

    1. Rescula

    2.3 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 424.6 g/mol
    Molecular Formula C25H44O5
    XLogP34.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count17
    Exact Mass424.31887450 g/mol
    Monoisotopic Mass424.31887450 g/mol
    Topological Polar Surface Area83.8 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity514
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1