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    Technical details about CAS 147403-65-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 147403-65-4

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 147403-65-4, Schembl16367902, Amy4361, Dtxsid10570360, Mfcd21496678, Akos016004226
    Molecular Formula
    C25H24N4O4
    Molecular Weight
    444.5  g/mol
    InChI Key
    OQJREYQHKLULTR-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-ethoxy-3-[[4-[2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate
    2.1.2 InChI
    InChI=1S/C25H24N4O4/c1-3-33-25-27-21-10-6-9-20(24(30)32-2)22(21)29(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23(26)28-31/h4-14,31H,3,15H2,1-2H3,(H2,26,28)
    2.1.3 InChI Key
    OQJREYQHKLULTR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=NO)N)C(=O)OC
    2.1.5 Isomeric SMILES
    CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4/C(=N/O)/N)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 147403-65-4

    2. Schembl16367902

    3. Amy4361

    4. Dtxsid10570360

    5. Mfcd21496678

    6. Akos016004226

    7. Ds-3760

    8. 1h-benzimidazole-7-carboxylic Acid, 2-ethoxy-1-[[2'-[(hydroxyamino)iminomethyl][1,1'-biphenyl]-4-yl]methyl]-, Methyl Ester

    9. Ac-25906

    10. (z)-methyl 2-ethoxy-3-((2-(n-hydroxycarbamimidoyl)biphenyl-4-yl)methyl)-3h-benzo[d] Imidazole-4-carboxylate

    11. Methyl 2-ethoxy-1-{[2'-(n'-hydroxycarbamimidoyl)[1,1'-biphenyl]-4-yl]methyl}-1h-benzimidazole-7-carboxylate

    12. Methyl 2-ethoxy-3-[[4-[2-[(z)-n\'-hydroxycarbamimidoyl]phenyl]phenyl]methyl]benzimidazole-4-carboxylate

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 444.5 g/mol
    Molecular Formula C25H24N4O4
    XLogP34.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass444.17975526 g/mol
    Monoisotopic Mass444.17975526 g/mol
    Topological Polar Surface Area112 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity681
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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