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

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    Pederin

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: Pederine, 27973-72-4, (+)-pederine, (+)-pederin, B8f7j348gj, Nsc-114781
    Molecular Formula
    C25H45NO9
    Molecular Weight
    503.6  g/mol
    InChI Key
    ZNEZZONMADKYTB-VRCUBXEUSA-N
    FDA UNII
    B8F7J348GJ
    pederin is a natural product found in Euglena gracilis and Apis cerana with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-N-[(S)-[(2S,4R,6R)-6-[(2S)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
    2.1.2 InChI
    InChI=1S/C25H45NO9/c1-14-12-25(33-9,35-16(3)15(14)2)21(28)22(29)26-23(32-8)18-11-19(27)24(4,5)20(34-18)10-17(31-7)13-30-6/h15-21,23,27-28H,1,10-13H2,2-9H3,(H,26,29)/t15-,16-,17+,18+,19-,20-,21-,23+,25-/m1/s1
    2.1.3 InChI Key
    ZNEZZONMADKYTB-VRCUBXEUSA-N
    2.1.4 Canonical SMILES
    CC1C(OC(CC1=C)(C(C(=O)NC(C2CC(C(C(O2)CC(COC)OC)(C)C)O)OC)O)OC)C
    2.1.5 Isomeric SMILES
    C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)N[C@H]([C@@H]2C[C@H](C([C@H](O2)C[C@@H](COC)OC)(C)C)O)OC)O)OC)C
    2.2 Other Identifiers
    2.2.1 UNII
    B8F7J348GJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-((6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2h-pyran-2-yl)methoxymethyl)tetrahydro-alpha-hydroxy-2-methoxy-5,6-dimethyl-4-methylene-2h-pyran-2-acetamide

    2. Paederine

    3. Pederine

    2.3.2 Depositor-Supplied Synonyms

    1. Pederine

    2. 27973-72-4

    3. (+)-pederine

    4. (+)-pederin

    5. B8f7j348gj

    6. Nsc-114781

    7. (2s)-n-[(s)-[(2s,4r,6r)-6-[(2s)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

    8. Nsc 114781

    9. Paederine

    10. Unii-b8f7j348gj

    11. Nsc114781

    12. Pederin [mi]

    13. Pederin, (+)-

    14. Schembl452974

    15. Chebi:78591

    16. Dtxsid90182248

    17. 2h-pyran-2-acetamide, N-(6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2h-pyran-2-yl)tetrahydro-alpha-hydroxy-2-methoxy-5,6-dimethyl-4-methylene-, (2s-(2alpha(r*(r* (2s*,5s*,6s*))),4beta,6beta(r*)))-

    18. 2h-pyran-2-glycolamide, N-((6-(2,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5-dimethyl-2h-pyran-2-yl)methoxymethyl)tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-

    19. D-manno-nonitol, 2,6-anhydro-3,5,7-trideoxy-1-c-(((2s)-hydroxy((2r,5r,6r)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2h-pyran-2-yl)acetyl)amino)-5,5-dimethyl-1,8,9-tri-o-methyl-, (1s)-

    20. Q8214251

    21. (2s)-n-[(s)-{(2s,4r,6r)-6-[(2s)-2,3-dimethoxypropyl]-4-hydroxy-5,5-dimethyltetrahydro-2h-pyran-2-yl}(methoxy)methyl]-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylenetetrahydro-2h-pyran-2-yl]acetamide

    22. 2h-puran-2-acetamide,3-dimethoxypropyl)tetrahydro-4-hydroxy-5,5- Dimethyl-2h-pyran-2-yl]tetrahydro-.alpha.-hydroxy-2- Methoxy-5,6-dimethyl-4-methylene-, [2s-[2.alpha.[r*[r* (2s*,5s*,6s*)]],4.beta.,6.beta.(r*)]]-

    23. 2h-pyran-2-glycolamide,3-dimethoxypropyl0tetrahydro-3-hydroxy-5,5- Dimethyl-2h-pyran-2-yl]methoxymethyl]tetrahydro-2-methoxy- 5,6-dimethyl-4-methylene-

    24. D-manno-nonitol, 2,6-anhydro-3,5,7-trideoxy-1-c-(((2s)-2-hydroxy-2-((2r,5r,6r)-tetrahydro-2-methoxy-5,6-dimethyl-4-methylene-2h-pyran-2-yl)acetyl)amino)-5,5-dimethyl-1,8,9-tri-o-methyl-, (1s)-

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 503.6 g/mol
    Molecular Formula C25H45NO9
    XLogP31
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count11
    Exact Mass503.30943201 g/mol
    Monoisotopic Mass503.30943201 g/mol
    Topological Polar Surface Area125 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity717
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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