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    Sb 210232

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: (r)-rosiglitazone, 163860-16-0, Rosiglitazone, (r)-, Rosiglitazone, (+)-, Sb 210232, 3u8pbh2bon
    Molecular Formula
    C18H19N3O3S
    Molecular Weight
    357.4  g/mol
    InChI Key
    YASAKCUCGLMORW-OAHLLOKOSA-N
    FDA UNII
    3U8PBH2BON
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (5R)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)/t15-/m1/s1
    2.1.3 InChI Key
    YASAKCUCGLMORW-OAHLLOKOSA-N
    2.1.4 Canonical SMILES
    CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3
    2.1.5 Isomeric SMILES
    CN(CCOC1=CC=C(C=C1)C[C@@H]2C(=O)NC(=O)S2)C3=CC=CC=N3
    2.2 Other Identifiers
    2.2.1 UNII
    3U8PBH2BON
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. (r)-rosiglitazone

    2. 163860-16-0

    3. Rosiglitazone, (r)-

    4. Rosiglitazone, (+)-

    5. Sb 210232

    6. 3u8pbh2bon

    7. Chebi:50123

    8. Sb-210232

    9. (5r)-5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazolidine-2,4-dione

    10. (5r)-5-((4-(2-(methyl-2-pyridinylamino)ethoxy)phenyl)methyl)-2,4-thiazolidinedione

    11. (5r)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

    12. 2,4-thiazolidinedione, 5-((4-(2-(methyl-2-pyridinylamino)ethoxy)phenyl)methyl)-, (5r)-

    13. 2,4-thiazolidinedione, 5-((4-(2-(methyl-2-pyridinylamino)ethoxy)phenyl)methyl)-, (r)-

    14. Unii-3u8pbh2bon

    15. Chembl333304

    16. Schembl11957687

    17. Zinc968330

    18. (r)-brl-49653

    19. Q27121917

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 357.4 g/mol
    Molecular Formula C18H19N3O3S
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count7
    Exact Mass357.11471265 g/mol
    Monoisotopic Mass357.11471265 g/mol
    Topological Polar Surface Area96.8 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity469
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1