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    Imifoplatin

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 40Xls

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    2D Structure
    Also known as: Imifoplatin [usan], 1339960-28-9, F5i3t42bxc, Pt-112, (1r,2r)-cyclohexane-1,2-diamine;[hydroxy(oxido)phosphoryl] hydrogen phosphate;platinum(2+), Unii-f5i3t42bxc
    Molecular Formula
    C6H16N2O7P2Pt
    Molecular Weight
    485.23  g/mol
    InChI Key
    SCMHTXQHAHWVSX-BNTLRKBRSA-L
    FDA UNII
    F5I3T42BXC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2R)-cyclohexane-1,2-diamine;[hydroxy(oxido)phosphoryl] hydrogen phosphate;platinum(2+)
    2.1.2 InChI
    InChI=1S/C6H14N2.H4O7P2.Pt/c7-5-3-1-2-4-6(5)8;1-8(2,3)7-9(4,5)6;/h5-6H,1-4,7-8H2;(H2,1,2,3)(H2,4,5,6);/q;;+2/p-2/t5-,6-;;/m1../s1
    2.1.3 InChI Key
    SCMHTXQHAHWVSX-BNTLRKBRSA-L
    2.1.4 Canonical SMILES
    C1CCC(C(C1)N)N.OP(=O)([O-])OP(=O)(O)[O-].[Pt+2]
    2.1.5 Isomeric SMILES
    C1CC[C@H]([C@@H](C1)N)N.OP(=O)([O-])OP(=O)(O)[O-].[Pt+2]
    2.2 Other Identifiers
    2.2.1 UNII
    F5I3T42BXC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Imifoplatin [usan]

    2. 1339960-28-9

    3. F5i3t42bxc

    4. Pt-112

    5. (1r,2r)-cyclohexane-1,2-diamine;[hydroxy(oxido)phosphoryl] Hydrogen Phosphate;platinum(2+)

    6. Unii-f5i3t42bxc

    7. Imifoplatin [inn]

    8. Pt 112 [who-dd]

    9. Schembl15974654

    10. Dtxsid30158447

    11. Who 10949

    12. (1r,2r)-cyclohexanediamine Pyrophosphatoplatinum(ii)

    13. Q27277668

    14. Cyclohexane-(1r,2r)-diamineplatinum(ii) Diphosphate

    15. 1,2-cyclohexanediamine Pyrophosphatoplatinum(ii), (r,r)-

    16. Dihydrogen (sp-4-2)-((1r,2r)-cyclohexane-1,2-diamine-.kappa.2n1,n2)(diphosphato(4)-.kappa.2o1,o3)platinate(2)

    17. Platinate(2-), ((1r,2r)-1,2-cyclohexanediamine-.kappa.n1,.kappa.n2)(diphosphato(4-)-.kappa.o,.kappa.o'')-, Hydrogen (1:2), (sp-4-2)-

    2.4 Create Date
    2009-05-11
    3 Chemical and Physical Properties
    Molecular Weight 485.23 g/mol
    Molecular Formula C6H16N2O7P2Pt
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count2
    Exact Mass485.008069 g/mol
    Monoisotopic Mass485.008069 g/mol
    Topological Polar Surface Area182 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity206
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3