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    UNII-898723IQHQ

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 57680-55-4, Gleptoferronum, Gleptosil, Heptomer, Gleptoferronum [inn-latin], Unii-898723iqhq
    Molecular Formula
    C13H25FeO15-
    Molecular Weight
    477.17  g/mol
    InChI Key
    NFJRQODDTXZEBV-MXIFXDQUSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 InChI
    InChI=1S/C13H24O13.Fe.H2O2/c14-1-4-6(17)8(19)11(22)13(26-4)25-2-3(15)5(16)7(18)9(20)10(21)12(23)24;;1-2/h3-11,13-22H,1-2H2,(H,23,24);;1-2H/p-1/t3?,4-,5?,6-,7?,8+,9?,10?,11-,13+;;/m1../s1
    2.1.2 InChI Key
    NFJRQODDTXZEBV-MXIFXDQUSA-M
    2.1.3 Canonical SMILES
    C(C1C(C(C(C(O1)OCC(C(C(C(C(C(=O)O)O)O)O)O)O)O)O)O)O.O[O-].[Fe]
    2.1.4 Isomeric SMILES
    C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(C(C(C(C(C(=O)O)O)O)O)O)O)O)O)O)O.O[O-].[Fe]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 57680-55-4

    2. Gleptoferronum

    3. Gleptosil

    4. Heptomer

    5. Gleptoferronum [inn-latin]

    6. Unii-898723iqhq

    7. Gleptoferron [usan:inn:ban]

    8. 898723iqhq

    2.3 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 477.17 g/mol
    Molecular Formula C13H25FeO15-
    Hydrogen Bond Donor Count11
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count9
    Exact Mass477.054281 g/mol
    Monoisotopic Mass477.054281 g/mol
    Topological Polar Surface Area281 Ų
    Heavy Atom Count29
    Formal Charge-1
    Complexity448
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count5
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3