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    Chemistry

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    Also known as: Citrofluyl, Monosodium dihydrogen citrate, Citric acid, monosodium salt, Citric acid monosodium salt, Sodium citrate monobasic, 68538up9se
    Molecular Formula
    C6H7NaO7
    Molecular Weight
    214.10  g/mol
    InChI Key
    HWPKGOGLCKPRLZ-UHFFFAOYSA-M
    Sodium Dihydrogen Citrate
    Sodium salts of citric acid that are used as buffers and food preservatives. They are used medically as anticoagulants in stored blood, and for urine alkalization in the prevention of KIDNEY STONES.
    1 2D Structure

    Sodium Dihydrogen Citrate

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

    1. Anhydrous Sodium Citrate

    2. Citra Ph

    3. Monosodium Citrate

    4. Sodium Citrate

    5. Sodium Citrate Dihydrate

    6. Sodium Citrate Monobasic

    7. Sodium Citrate, Anhydrous

    8. Trisodium Citrate Dihydrate

    2.2.2 Depositor-Supplied Synonyms

    1. Citrofluyl

    2. Monosodium Dihydrogen Citrate

    3. Citric Acid, Monosodium Salt

    4. Citric Acid Monosodium Salt

    5. Sodium Citrate Monobasic

    6. 68538up9se

    7. Sodium Dihydrogen Citrate Anhydrous

    8. Einecs 242-734-6

    9. Unii-68538up9se

    10. 1,2,3-propanetricarboxylic Acid, 2-hydroxy-, Sodium Salt (1:1)

    11. Ec 242-734-6

    12. E82980

    2.3 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 214.10 g/mol
    Molecular Formula C6H7NaO7
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass214.00894684 g/mol
    Monoisotopic Mass214.00894684 g/mol
    Topological Polar Surface Area135 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity233
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anticoagulants

    Agents that prevent BLOOD CLOTTING. (See all compounds classified as Anticoagulants.)

    Buffers

    A chemical system that functions to control the levels of specific ions in solution. When the level of hydrogen ion in solution is controlled the system is called a pH buffer. (See all compounds classified as Buffers.)

    Food Preservatives

    Substances capable of inhibiting, retarding or arresting the process of fermentation, acidification or other deterioration of foods. (See all compounds classified as Food Preservatives.)

    API Reference Price

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    16-Apr-2021
    17-Oct-2024
    KGS
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