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Suanfarma Suanfarma

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

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    Levomefolate

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

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    DIGITAL CONTENT

    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:
    Molecular Formula
    C20H25N7O6
    Molecular Weight
    459.5  g/mol
    InChI Key
    ZNOVTXRBGFNYRX-STQMWFEESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[[4-[[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid
    2.1.2 InChI
    InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1
    2.1.3 InChI Key
    ZNOVTXRBGFNYRX-STQMWFEESA-N
    2.1.4 Canonical SMILES
    CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CN1[C@H](CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
    2.2 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 459.5 g/mol
    Molecular Formula C20H25N7O6
    XLogP3-0.5
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count9
    Exact Mass459.18663154 g/mol
    Monoisotopic Mass459.18663154 g/mol
    Topological Polar Surface Area199 A^2
    Heavy Atom Count33
    Formal Charge0
    Complexity865
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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