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Suanfarma Suanfarma

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

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    Hypericin Sodium

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    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: Mfcd08276481, 144788-48-7
    Molecular Formula
    C30H15NaO8
    Molecular Weight
    526.4  g/mol
    InChI Key
    WPEQYQAKKJNBIA-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;9,11,20,22,24-pentahydroxy-13,16-dimethyl-7,18-dioxooctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,8,10,12,14,16,19,21,23,25-tridecaen-5-olate
    2.1.2 InChI
    InChI=1S/C30H16O8.Na/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28;/h3-6,31,33-34,36-38H,1-2H3;/q;+1/p-1
    2.1.3 InChI Key
    WPEQYQAKKJNBIA-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC1=CC(=C2C3=C4C5=C(C(=CC(=O)C5=C2O)[O-])C6=C7C4=C8C(=C13)C(=CC(=O)C8=C(C7=C(C=C6O)O)O)C)O.[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Mfcd08276481

    2. 144788-48-7

    2.3 Create Date
    2019-01-25
    3 Chemical and Physical Properties
    Molecular Weight 526.4 g/mol
    Molecular Formula C30H15NaO8
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area158
    Heavy Atom Count39
    Formal Charge0
    Complexity1180
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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