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    Technical details about Prostaglandin E1 Ethyl Ester, learn more about the structure, uses, toxicity, action, side effects and more

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    Prostaglandin E1 Ethyl Ester

    DIGITAL CONTENT

    PharmaCompass

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    2D Structure
    1. Also known as: Prostaglandin e1 ethyl ester, 35900-16-4, Pge1 ethyl ester, Ig6wr57rzt, Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, ethyl ester, (11alpha,13e,15s)-, Unii-ig6wr57rzt
    Molecular Formula
    C22H38O5
    Molecular Weight
    382.5  g/mol
    InChI Key
    LVDCZROIKIHUKJ-QZCLESEGSA-N
    FDA UNII
    IG6WR57RZT
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate
    2.1.2 InChI
    InChI=1S/C22H38O5/c1-3-5-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-7-10-13-22(26)27-4-2/h14-15,17-19,21,23,25H,3-13,16H2,1-2H3/b15-14+/t17-,18+,19+,21+/m0/s1
    2.1.3 InChI Key
    LVDCZROIKIHUKJ-QZCLESEGSA-N
    2.1.4 Canonical SMILES
    CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)OCC)O)O
    2.1.5 Isomeric SMILES
    CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OCC)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    IG6WR57RZT
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Pge1 Ethyl Ester

    2. Prostaglandin E1 Ethyl Ester

    2.3.2 Depositor-Supplied Synonyms

    1. Prostaglandin E1 Ethyl Ester

    2. 35900-16-4

    3. Pge1 Ethyl Ester

    4. Ig6wr57rzt

    5. Prost-13-en-1-oic Acid, 11,15-dihydroxy-9-oxo-, Ethyl Ester, (11alpha,13e,15s)-

    6. Unii-ig6wr57rzt

    7. Schembl23352724

    8. Dtxsid10189476

    9. Zinc6852902

    10. Ethyl 7-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoate

    11. Alprostadil Impurity I [ep Impurity]

    12. Q27280712

    13. Prost-13-en-1-oic Acid, 11,15-dihydroxy-9-oxo-, Ethyl Ester, (11.alpha.,13e,15s)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 382.5 g/mol
    Molecular Formula C22H38O5
    XLogP33.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count15
    Exact Mass382.27192431 g/mol
    Monoisotopic Mass382.27192431 g/mol
    Topological Polar Surface Area83.8 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity460
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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