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    Chemistry

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    Also known as: L-carnitine hydrochloride, Schembl932466
    Molecular Formula
    C7H16ClNO3
    Molecular Weight
    197.66  g/mol
    InChI Key
    JXXCENBLGFBQJM-FYZOBXCZSA-N
    L-Carnitine Hydrochloride
    1 2D Structure

    L-Carnitine Hydrochloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C7H15NO3.ClH/c1-8(2,3)5-6(9)4-7(10)11;/h6,9H,4-5H2,1-3H3;1H/t6-;/m1./s1
    2.1.3 InChI Key
    JXXCENBLGFBQJM-FYZOBXCZSA-N
    2.1.4 Canonical SMILES
    C[N+](C)(C)CC(CC(=O)[O-])O.Cl
    2.1.5 Isomeric SMILES
    C[N+](C)(C)C[C@@H](CC(=O)[O-])O.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. L-carnitine Hydrochloride

    2. Schembl932466

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 197.66 g/mol
    Molecular Formula C7H16ClNO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass197.0818711 g/mol
    Monoisotopic Mass197.0818711 g/mol
    Topological Polar Surface Area60.4 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity134
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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    28-Feb-2022
    11-Jul-2024
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