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    Technical details about EP-7041, learn more about the structure, uses, toxicity, action, side effects and more

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    EP-7041

    DEVELOPMENTS

    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: Schembl16998942
    Molecular Formula
    C21H30N4O4
    Molecular Weight
    402.5  g/mol
    InChI Key
    QPVLDUCHRPJGCJ-QBIMZIAESA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-[[(1R)-1-cyclooctylethyl]carbamoyl]-4-oxoazetidine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C21H30N4O4/c1-13(15-7-5-3-2-4-6-8-15)24-21(29)25-18(20(27)28)16(19(25)26)11-14-9-10-23-17(22)12-14/h9-10,12-13,15-16,18H,2-8,11H2,1H3,(H2,22,23)(H,24,29)(H,27,28)/t13-,16-,18+/m1/s1
    2.1.3 InChI Key
    QPVLDUCHRPJGCJ-QBIMZIAESA-N
    2.1.4 Canonical SMILES
    CC(C1CCCCCCC1)NC(=O)N2C(C(C2=O)CC3=CC(=NC=C3)N)C(=O)O
    2.1.5 Isomeric SMILES
    C[C@H](C1CCCCCCC1)NC(=O)N2[C@@H]([C@H](C2=O)CC3=CC(=NC=C3)N)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Schembl16998942

    2.3 Create Date
    2015-08-24
    3 Chemical and Physical Properties
    Molecular Weight 402.5 g/mol
    Molecular Formula C21H30N4O4
    XLogP33.7
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass402.22670545 g/mol
    Monoisotopic Mass402.22670545 g/mol
    Topological Polar Surface Area126 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity606
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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