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    15-Deoxy-15,15-ethylenedioxy-16-phenoxy-17,18,19,20-tetranor-pgf2-alpha

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 59619-81-7, Etiprostone, Etiproston [inn], Prostavet, Tcu22w0apy, (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid
    Molecular Formula
    C24H32O7
    Molecular Weight
    432.5  g/mol
    InChI Key
    BPALXSWPHQNCAA-RLJNYRALSA-N
    FDA UNII
    TCU22W0APY
    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)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic acid
    2.1.2 InChI
    InChI=1S/C24H32O7/c25-21-16-22(26)20(19(21)10-6-1-2-7-11-23(27)28)12-13-24(30-14-15-31-24)17-29-18-8-4-3-5-9-18/h1,3-6,8-9,12-13,19-22,25-26H,2,7,10-11,14-17H2,(H,27,28)/b6-1-,13-12+/t19-,20-,21+,22-/m1/s1
    2.1.3 InChI Key
    BPALXSWPHQNCAA-RLJNYRALSA-N
    2.1.4 Canonical SMILES
    C1COC(O1)(COC2=CC=CC=C2)C=CC3C(CC(C3CC=CCCCC(=O)O)O)O
    2.1.5 Isomeric SMILES
    C1COC(O1)(COC2=CC=CC=C2)/C=C/[C@H]3[C@@H](C[C@@H]([C@@H]3C/C=C\CCCC(=O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    TCU22W0APY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Etiproston Tromethamine

    2.3.2 Depositor-Supplied Synonyms

    1. 59619-81-7

    2. Etiprostone

    3. Etiproston [inn]

    4. Prostavet

    5. Tcu22w0apy

    6. (z)-7-[(1r,2r,3r,5s)-3,5-dihydroxy-2-[(e)-2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethenyl]cyclopentyl]hept-5-enoic Acid

    7. Etiproston (inn)

    8. (z)-7-((1r,2r,3r,5s)-3,5-dihydroxy-2-((e)-2-(2-(phenoxymethyl)-1,3-dioxolan-2-yl)vinyl)cyclopentyl)-5-heptenoic Acid

    9. Etiprostonum

    10. Etiprostone [inn-french]

    11. Unii-tcu22w0apy

    12. Etiprostonum [inn-latin]

    13. Brn 1274276

    14. Etiproston [mi]

    15. Prostavet [veterinary] (tn)

    16. Chembl2104285

    17. Schembl11602088

    18. Dtxsid501024232

    19. Zinc30691625

    20. 15-deoxy-15,15-ethylenedioxy-16-phenoxy-17,18,19,20-tetranor-pgf2-alpha

    21. 15-deoxy-15,15-ethylenedioxy-16-phenoxy-17,18,19,20-tetranor-prostaglandin F2-alpha

    22. D07932

    23. 619e817

    24. Q27289904

    25. 15-deoxy-15, 15-ethylenedioxy-16-phenoxy-omega-tetranor Pgf-2alpha

    26. 5-heptenoic Acid, 7-(3,5-dihydroxy-2-(2-(2-(phenoxymethyl)-1,3-dioxolan-2-yl)ethenyl)cyclopentyl)-, (1r-(1-alpha(z),2-beta(e),3-alpha,5-alpha))-

    2.4 Create Date
    2005-12-16
    3 Chemical and Physical Properties
    Molecular Weight 432.5 g/mol
    Molecular Formula C24H32O7
    XLogP32.1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count11
    Exact Mass432.21480336 g/mol
    Monoisotopic Mass432.21480336 g/mol
    Topological Polar Surface Area105 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity605
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count2
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1