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Polpharma European CDMO Partner & API Manufacturer since 1951 Polpharma European CDMO Partner & API Manufacturer since 1951

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

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    Beraprost

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    DOSSIERs // Finished Dosage Forms

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

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    2D Structure
    1. Also known as: 88475-69-8, Befraprost, Procyclin, Esuberaprostsodium, Procylin (tn), Schembl1477992
    Molecular Formula
    C24H29NaO5
    Molecular Weight
    420.5  g/mol
    InChI Key
    YTCZZXIRLARSET-UEIGIMKUSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;4-[2-hydroxy-1-[(E)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
    2.1.2 InChI
    InChI=1S/C24H30O5.Na/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28;/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28);/q;+1/p-1/b13-12+;
    2.1.3 InChI Key
    YTCZZXIRLARSET-UEIGIMKUSA-M
    2.1.4 Canonical SMILES
    CC#CCC(C)C(C=CC1C(CC2C1C3=CC=CC(=C3O2)CCCC(=O)[O-])O)O.[Na+]
    2.1.5 Isomeric SMILES
    CC#CCC(C)C(/C=C/C1C(CC2C1C3=CC=CC(=C3O2)CCCC(=O)[O-])O)O.[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 88475-69-8

    2. Befraprost

    3. Procyclin

    4. Esuberaprostsodium

    5. Procylin (tn)

    6. Schembl1477992

    7. Beraprost Sodium (jp17/usan)

    8. Akos015899684

    9. D01551

    10. 2,3,3a-8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-1h-cyclopenta[b]benzofuran-5-butanoic Acid, Sodium Salt

    2.3 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 420.5 g/mol
    Molecular Formula C24H29NaO5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass420.19126830 g/mol
    Monoisotopic Mass420.19126830 g/mol
    Topological Polar Surface Area89.8 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity665
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count6
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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