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    Trisodium Zinc Dtpa

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    2D Structure
    Also known as: Diethylenetriaminepentaacetic acid, zinc trisodium salt, 11082-38-5, Zinc trisodium dtpa, Nxu65ic8pg, Trisodium;zinc;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate, Hsdb 7432
    Molecular Formula
    C14H18N3Na3O10Zn
    Molecular Weight
    522.7  g/mol
    InChI Key
    HVASDHJNLYRZEA-UHFFFAOYSA-I
    Pentetate Zinc Trisodium is the trisodium salt form of zinc diethylene triamine pentaacetate (Zn-DTPA or pentetate zinc) with chelating activity. Upon administration, Zn-DTPA loses the Zn ion to form stable chelates with metal ions because DTPA has a higher affinity for heavy metal ions than for Zn ions. Specifically, this agent is able to bind to and form strong complexes with the radioactive plutonium, americium, and cerium after internal contamination. The formation of these heavy metal chelates enhances radionuclide excretion.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    trisodium;zinc;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
    2.1.2 InChI
    InChI=1S/C14H23N3O10.3Na.Zn/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;3*+1;+2/p-5
    2.1.3 InChI Key
    HVASDHJNLYRZEA-UHFFFAOYSA-I
    2.1.4 Canonical SMILES
    C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Zn+2]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Diethylenetriaminepentaacetic Acid, Zinc Trisodium Salt

    2. 11082-38-5

    3. Zinc Trisodium Dtpa

    4. Nxu65ic8pg

    5. Trisodium;zinc;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate

    6. Hsdb 7432

    7. Trisodium (n,n-bis(2-(bis(carboxylatomethyl)amino)ethyl)glycinato(5-))zincate(3-)

    8. Zincate(3-), (n,n-bis(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))-, Trisodium

    9. Einecs 234-305-7

    10. Unii-nxu65ic8pg

    11. Zinc Trisodium Diethylenetriaminepentaacetate

    2.3 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 522.7 g/mol
    Molecular Formula C14H18N3Na3O10Zn
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count2
    Exact Mass520.997668 g/mol
    Monoisotopic Mass520.997668 g/mol
    Topological Polar Surface Area210 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity533
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count5