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Suanfarma Suanfarma

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

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    Fostriecin

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: Chembl2107391, Schembl21408783, Bdbm50451451
    Molecular Formula
    C19H26NaO9P
    Molecular Weight
    452.4  g/mol
    InChI Key
    XBUIKNRVGYFSHL-BVOMIPGGSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;[(1E,7E,9E,11E)-3,6,13-trihydroxy-3-methyl-1-(6-oxo-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] hydrogen phosphate
    2.1.2 InChI
    InChI=1S/C19H27O9P.Na/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20;/h2-8,10-12,15-17,20-21,23H,9,13-14H2,1H3,(H2,24,25,26);/q;+1/p-1/b3-2+,6-4+,8-5+,12-11+;
    2.1.3 InChI Key
    XBUIKNRVGYFSHL-BVOMIPGGSA-M
    2.1.4 Canonical SMILES
    CC(C=CC1CC=CC(=O)O1)(C(CC(C=CC=CC=CCO)O)OP(=O)(O)[O-])O.[Na+]
    2.1.5 Isomeric SMILES
    CC(/C=C/C1CC=CC(=O)O1)(C(CC(/C=C/C=C/C=C/CO)O)OP(=O)(O)[O-])O.[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Chembl2107391

    2. Schembl21408783

    3. Bdbm50451451

    2.3 Create Date
    2007-11-13
    3 Chemical and Physical Properties
    Molecular Weight 452.4 g/mol
    Molecular Formula C19H26NaO9P
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count11
    Exact Mass452.12121368 g/mol
    Monoisotopic Mass452.12121368 g/mol
    Topological Polar Surface Area157 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity732
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count4
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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