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    Technical details about Ci-1017, learn more about the structure, uses, toxicity, action, side effects and more

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    Ci-1017

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 161774-09-0, Ci-1017, (e)-n-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine;oxalic acid, 1-azabicyclo(2.2.1)heptan-3-one, o-(3-(3-methoxyphenyl)-2-propynyl)oxime ethanedioate, Pd-142505-0028
    Molecular Formula
    C18H20N2O6
    Molecular Weight
    360.4  g/mol
    InChI Key
    FSSMLDVGDZVSES-XYJRJTJESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-N-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine;oxalic acid
    2.1.2 InChI
    InChI=1S/C16H18N2O2.C2H2O4/c1-19-15-6-2-4-13(10-15)5-3-9-20-17-16-12-18-8-7-14(16)11-18;3-1(4)2(5)6/h2,4,6,10,14H,7-9,11-12H2,1H3;(H,3,4)(H,5,6)/b17-16-;
    2.1.3 InChI Key
    FSSMLDVGDZVSES-XYJRJTJESA-N
    2.1.4 Canonical SMILES
    COC1=CC=CC(=C1)C#CCON=C2CN3CCC2C3.C(=O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    COC1=CC=CC(=C1)C#CCO/N=C\2/CN3CCC2C3.C(=O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1-azabicyclo(2.2.1)heptan-3-one, O-(3-(3-methoxyphenyl)-2-propynyl)oxime Ethanedioate

    2. Ci-1017

    3. Pd 142505-0028

    4. Pd 142505-0028, ((+-)-z)-isomer

    5. Pd 142505-0028, ((1r)-z)-isomer

    6. Pd 142505-0028, ((1s)-z)-isomer

    7. Pd-142505-0028

    2.2.2 Depositor-Supplied Synonyms

    1. 161774-09-0

    2. Ci-1017

    3. (e)-n-[3-(3-methoxyphenyl)prop-2-ynoxy]-1-azabicyclo[2.2.1]heptan-3-imine;oxalic Acid

    4. 1-azabicyclo(2.2.1)heptan-3-one, O-(3-(3-methoxyphenyl)-2-propynyl)oxime Ethanedioate

    5. Pd-142505-0028

    2.3 Create Date
    2006-05-01
    3 Chemical and Physical Properties
    Molecular Weight 360.4 g/mol
    Molecular Formula C18H20N2O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass360.13213636 g/mol
    Monoisotopic Mass360.13213636 g/mol
    Topological Polar Surface Area109 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity506
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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