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    Lobeglitazone sulfate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Ckd-501, Chembl3780740, 763108-62-9 (sulfate), 95c712e83p, 763108-62-9, 5-(4-(2-((6-(4-methoxyphenoxy)pyrimidin-4-yl)(methyl)amino)ethoxy)benzyl)thiazolidine-2,4-dione sulfate
    Molecular Formula
    C24H26N4O9S2
    Molecular Weight
    578.6  g/mol
    InChI Key
    IFBYQAMJTBOBHB-UHFFFAOYSA-N
    FDA UNII
    95C712E83P
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric acid
    2.1.2 InChI
    InChI=1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4)
    2.1.3 InChI Key
    IFBYQAMJTBOBHB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=NC=N3)OC4=CC=C(C=C4)OC.OS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    95C712E83P
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ckd 501

    2. Ckd-501

    3. Ckd501

    4. Lobeglitazone

    2.3.2 Depositor-Supplied Synonyms

    1. Ckd-501

    2. Chembl3780740

    3. 763108-62-9 (sulfate)

    4. 95c712e83p

    5. 763108-62-9

    6. 5-(4-(2-((6-(4-methoxyphenoxy)pyrimidin-4-yl)(methyl)amino)ethoxy)benzyl)thiazolidine-2,4-dione Sulfate

    7. Unii-95c712e83p

    8. Ckd 501

    9. Bdbm50152829

    10. Lobeglitazone Sulfate [who-dd]

    11. Sb16870

    12. Q27271778

    13. (+/-)-2,4-thiazolidinedione, 5-((4-(2-((6-(4-methoxyphenoxy)-4-pyrimidinyl)methylamino)ethoxy)phenyl)methyl)-, Sulfate (1:1)

    14. 2,4-thiazolidinedione, 5-((4-(2-((6-(4-methoxyphenoxy)-4- Pyrimidinyl)methylamino)ethoxy)phenyl)methyl)-, Sulfate (1:1)

    15. 2,4-thiazolidinedione, 5-((4-(2-((6-(4-methoxyphenoxy)-4-pyrimidinyl)methylamino)ethoxy)phenyl)methyl)-, Sulfate (1:1)

    16. 5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;sulfuric Acid

    2.4 Create Date
    2007-03-07
    3 Chemical and Physical Properties
    Molecular Weight 578.6 g/mol
    Molecular Formula C24H26N4O9S2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count10
    Exact Mass578.11412077 g/mol
    Monoisotopic Mass578.11412077 g/mol
    Topological Polar Surface Area211 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity751
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2