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    Ulsanic

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    2D Structure
    Also known as: Gtpl7055, Q420394, [({[(2s,3r,4s,5r,6r)-4,5-bis({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-6-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]-2-{[(2r,3s,4s,5r)-3,4,5-tris({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-2-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]oxolan-2-yl]oxy}oxan-3-yl]oxy}sulfonyl)oxy]alumanediol
    Molecular Formula
    C11H44Al8O51S8
    Molecular Weight
    1464.8  g/mol
    InChI Key
    FTFYNJYNMCKWAJ-JQOFMKNESA-F
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 InChI
    InChI=1S/C11H20O35S8.8Al.16H2O/c12-47(13,14)36-1-3-4(41-49(18,19)20)5(42-50(21,22)23)6(43-51(24,25)26)9(38-3)39-11(2-37-48(15,16)17)8(45-53(30,31)32)7(44-52(27,28)29)10(40-11)46-54(33,34)35;;;;;;;;;;;;;;;;;;;;;;;;/h3-10H,1-2H2,(H,12,13,14)(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;;;;;;16*1H2/q;8*+1;;;;;;;;;;;;;;;;/p-8/t3-,4-,5+,6-,7+,8+,9+,10-,11-;;;;;;;;;;;;;;;;;;;;;;;;/m1......................../s1
    2.1.2 InChI Key
    FTFYNJYNMCKWAJ-JQOFMKNESA-F
    2.1.3 Canonical SMILES
    C(C1C(C(C(C(O1)OC2(C(C(C(O2)OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])COS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
    2.1.4 Isomeric SMILES
    C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])COS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al])OS(=O)(=O)O[Al].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Gtpl7055

    2. Q420394

    3. [({[(2s,3r,4s,5r,6r)-4,5-bis({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-6-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]-2-{[(2r,3s,4s,5r)-3,4,5-tris({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)-2-[({[(dihydroxyalumanyl)oxy]sulfonyl}oxy)methyl]oxolan-2-yl]oxy}oxan-3-yl]oxy}sulfonyl)oxy]alumanediol

    2.3 Create Date
    2013-03-06
    3 Chemical and Physical Properties
    Molecular Weight 1464.8 g/mol
    Molecular Formula C11H44Al8O51S8
    Hydrogen Bond Donor Count16
    Hydrogen Bond Acceptor Count51
    Rotatable Bond Count36
    Exact Mass1463.713824 g/mol
    Monoisotopic Mass1463.713824 g/mol
    Topological Polar Surface Area532 Ų
    Heavy Atom Count78
    Formal Charge0
    Complexity2400
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count17
    4 Drug and Medication Information
    4.1 Drug Information
    1 of 2  
    Drug NameCarafate
    PubMed HealthSucralfate (By mouth)
    Drug ClassesAntiulcer, Protectant
    Drug LabelCARAFATE Suspension contains sucralfate and sucralfate is an -D-glucopyranoside, -D-fructofuranosyl-, octakis-(hydrogen sulfate), aluminum complex.CARAFATE Suspension for oral administration contains 1 g of sucralfate per 10 mL.CARAFATE Sus...
    Active IngredientSucralfate
    Dosage FormTablet; Suspension
    RouteOral
    Strength1gm/10ml; 1gm
    Market StatusPrescription
    CompanyForest Labs

    2 of 2  
    Drug NameCarafate
    PubMed HealthSucralfate (By mouth)
    Drug ClassesAntiulcer, Protectant
    Drug LabelCARAFATE Suspension contains sucralfate and sucralfate is an -D-glucopyranoside, -D-fructofuranosyl-, octakis-(hydrogen sulfate), aluminum complex.CARAFATE Suspension for oral administration contains 1 g of sucralfate per 10 mL.CARAFATE Sus...
    Active IngredientSucralfate
    Dosage FormTablet; Suspension
    RouteOral
    Strength1gm/10ml; 1gm
    Market StatusPrescription
    CompanyForest Labs