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    Clazosentan Sodium

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    2D Structure
    Also known as: Clazosentan disodium, Clazosentan disodium salt, Clazosentan sodium [jan], Clazosentan disodium salt [mi], 0l77pk62l1, 503271-02-1
    Molecular Formula
    C25H21N9Na2O6S
    Molecular Weight
    621.5  g/mol
    InChI Key
    PZNSONUYVNYXJZ-UHFFFAOYSA-N
    FDA UNII
    0L77PK62L1
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-[2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridin-4-yl]pyrimidin-4-yl]-(5-methylpyridin-2-yl)sulfonylazanide
    2.1.2 InChI
    InChI=1S/C25H21N9O6S.2Na/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23;;/h3-10,13-14,35H,11-12H2,1-2H3;;/q-2;2*+1
    2.1.3 InChI Key
    PZNSONUYVNYXJZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CN=C(C=C1)S(=O)(=O)[N-]C2=C(C(=NC(=N2)C3=CC(=NC=C3)C4=NN=N[N-]4)OCCO)OC5=CC=CC=C5OC.[Na+].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    0L77PK62L1
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Clazosentan Disodium

    2. Clazosentan Disodium Salt

    3. Clazosentan Sodium [jan]

    4. Clazosentan Disodium Salt [mi]

    5. 0l77pk62l1

    6. 503271-02-1

    7. 2-pyridinesulfonamide, N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-(1h-tetrazol-5-yl)-4-pyridinyl)-4-pyrimidinyl)-5-methyl-, Disodium Salt

    8. Unii-0l77pk62l1

    9. Dtxsid10198341

    10. Q27236935

    2.4 Create Date
    2011-05-05
    3 Chemical and Physical Properties
    Molecular Weight 621.5 g/mol
    Molecular Formula C25H21N9Na2O6S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count11
    Exact Mass621.11308916 g/mol
    Monoisotopic Mass621.11308916 g/mol
    Topological Polar Surface Area183 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity911
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3