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    Technical details about Caldiamide Sodium, learn more about the structure, uses, toxicity, action, side effects and more

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    Caldiamide Sodium

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    2D Structure
    1. Also known as: 131410-50-9, Caldiamide sodium anhydrous, Dv-7572, Calcium;sodium;2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate, 9g03615q60, Ccris 6697
    Molecular Formula
    C16H26CaN5NaO8
    Molecular Weight
    479.47  g/mol
    InChI Key
    YOVKQJBQALQTMU-UHFFFAOYSA-K
    FDA UNII
    9G03615Q60
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;sodium;2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate
    2.1.2 InChI
    InChI=1S/C16H29N5O8.Ca.Na/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;/q;+2;+1/p-3
    2.1.3 InChI Key
    YOVKQJBQALQTMU-UHFFFAOYSA-K
    2.1.4 Canonical SMILES
    CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    9G03615Q60
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 131410-50-9

    2. Caldiamide Sodium Anhydrous

    3. Dv-7572

    4. Calcium;sodium;2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate

    5. 9g03615q60

    6. Ccris 6697

    7. Unii-9g03615q60

    8. Chembl2106197

    9. Dtxsid50157033

    10. Q27272509

    11. Calciate(1-), (5,8-bis(carboxymethyl)-11-(2-(methylamino)-2-oxoethyl)-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-))-, Sodium

    12. Sodium (n,n-bis(2-((carboxymethyl)(methylcarbamoyl)methyl)amino)ethyl)glycinato(3-))calciate(1-)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 479.47 g/mol
    Molecular Formula C16H26CaN5NaO8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count13
    Exact Mass479.1304979 g/mol
    Monoisotopic Mass479.1304979 g/mol
    Topological Polar Surface Area188 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity527
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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