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    Technical details about AR-06, learn more about the structure, uses, toxicity, action, side effects and more

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    AR-06

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    PharmaCompass

    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Axplora- The partner of choice for complex APIs.

    2D Structure
    1. Also known as: 682335-44-0, Hydralazine / isosorbide dinitrate, Isosorbide dinitrate / hydralazine, Hydralazine mixture with isosorbide dinitrate, Schembl3505229, Dtxsid90987755
    Molecular Formula
    C14H17ClN6O8
    Molecular Weight
    432.77  g/mol
    InChI Key
    AVCYYEUQUXOUPI-SADXPQEKSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S,3aS,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] nitrate;phthalazin-1-ylhydrazine;hydrochloride
    2.1.2 InChI
    InChI=1S/C8H8N4.C6H8N2O8.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6;/h1-5H,9H2,(H,11,12);3-6H,1-2H2;1H/t;3-,4+,5-,6-;/m.1./s1
    2.1.3 InChI Key
    AVCYYEUQUXOUPI-SADXPQEKSA-N
    2.1.4 Canonical SMILES
    C1C(C2C(O1)C(CO2)O[N+](=O)[O-])O[N+](=O)[O-].C1=CC=C2C(=C1)C=NN=C2NN.Cl
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)O[N+](=O)[O-])O[N+](=O)[O-].C1=CC=C2C(=C1)C=NN=C2NN.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 682335-44-0

    2. Hydralazine / Isosorbide Dinitrate

    3. Isosorbide Dinitrate / Hydralazine

    4. Hydralazine Mixture With Isosorbide Dinitrate

    5. Schembl3505229

    6. Dtxsid90987755

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 432.77 g/mol
    Molecular Formula C14H17ClN6O8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count3
    Exact Mass432.0796392 g/mol
    Monoisotopic Mass432.0796392 g/mol
    Topological Polar Surface Area192 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity418
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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