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    Chemistry

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    Also known as: Choline citrate (1:1), 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-hydroxyethyl(trimethyl)azanium, Cirrocolina, Citracholin, Citracholine, Citrocholine
    Molecular Formula
    C11H21NO8
    Molecular Weight
    295.29  g/mol
    InChI Key
    WRPUOFKIGGWQIJ-UHFFFAOYSA-M
    Choline Dihydrogen Citrate
    1 2D Structure

    Choline Dihydrogen Citrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-hydroxyethyl(trimethyl)azanium
    2.1.2 InChI
    InChI=1S/C6H8O7.C5H14NO/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-6(2,3)4-5-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1
    2.1.3 InChI Key
    WRPUOFKIGGWQIJ-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C[N+](C)(C)CCO.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Choline Citrate (1:1)

    2. 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-hydroxyethyl(trimethyl)azanium

    3. Cirrocolina

    4. Citracholin

    5. Citracholine

    6. Citrocholine

    7. Colicitrin

    8. Neurotropan

    9. Cholinvel

    10. Citrocol

    11. Delichol

    12. Cholex

    13. Ethanaminium, 2-hydroxy-n,n,n-trimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

    14. Einecs 201-068-6

    15. Choline Hydrogencitrate

    16. Unii-dq8hhp07gl

    17. Choline Dihydrogen Citrate (tn)

    18. Choline Dihydrogen Citrate [nf]

    19. Schembl16267377

    20. Dtxsid30889325

    21. Ls-14019

    22. Salts Of (2-hydroxyethyl)trimethylammonium

    23. D07691

    24. 4-amino-4-(2-carboxyethyl)-heptanedioicacid

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 295.29 g/mol
    Molecular Formula C11H21NO8
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass295.12671663 g/mol
    Monoisotopic Mass295.12671663 g/mol
    Topological Polar Surface Area155 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity268
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    16-Feb-2021
    21-Sep-2024
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