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

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    Levoleucovorin Calcium

    APIs // Active Pharmaceutical Ingredients

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    2D Structure
    Also known as:
    Molecular Formula
    C20H21CaN7O7
    Molecular Weight
    511.5  g/mol
    InChI Key
    KVUAALJSMIVURS-QNTKWALQSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(2S)-2-[[4-[[(6S)-2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioate
    2.1.2 InChI
    InChI=1S/C20H23N7O7.Ca/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);/q;+2/p-2/t12-,13-;/m0./s1
    2.1.3 InChI Key
    KVUAALJSMIVURS-QNTKWALQSA-L
    2.1.4 Canonical SMILES
    C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Ca+2]
    2.1.5 Isomeric SMILES
    C1[C@@H](N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[Ca+2]
    2.2 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 511.5 g/mol
    Molecular Formula C20H21CaN7O7
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass511.1128369 g/mol
    Monoisotopic Mass511.1128369 g/mol
    Topological Polar Surface Area221 A^2
    Heavy Atom Count35
    Formal Charge0
    Complexity900
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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