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    BUILDING BLOCK

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    Also known as: 106881-35-0, Topiramate azidosulfate, Topiramate impurity 1, Dtxsid50549419, 2,3:4,5-di-o-isopropylidene-b-d-fructopyranose azide sulphate, Zinc28001601
    Molecular Formula
    C12H19N3O8S
    Molecular Weight
    365.36  g/mol
    InChI Key
    ULLWHTAOFMDWSA-XBWDGYHZSA-N
    CAS 106881-35-0
    1 2D Structure

    CAS 106881-35-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl N-diazosulfamate
    2.1.2 InChI
    InChI=1S/C12H19N3O8S/c1-10(2)20-7-5-18-12(6-19-24(16,17)15-14-13)9(8(7)21-10)22-11(3,4)23-12/h7-9H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1
    2.1.3 InChI Key
    ULLWHTAOFMDWSA-XBWDGYHZSA-N
    2.1.4 Canonical SMILES
    CC1(OC2COC3(C(C2O1)OC(O3)(C)C)COS(=O)(=O)N=[N+]=[N-])C
    2.1.5 Isomeric SMILES
    CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N=[N+]=[N-])C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 106881-35-0

    2. Topiramate Azidosulfate

    3. Topiramate Impurity 1

    4. Dtxsid50549419

    5. 2,3:4,5-di-o-isopropylidene-b-d-fructopyranose Azide Sulphate

    6. Zinc28001601

    7. W-200758

    8. [(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-2h,3ah,7h-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl]methyl Sulfurazidate (non-preferred Name)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 365.36 g/mol
    Molecular Formula C12H19N3O8S
    XLogP31.1
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count4
    Exact Mass365.08928575 g/mol
    Monoisotopic Mass365.08928575 g/mol
    Topological Polar Surface Area112 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity668
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count1
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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