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    PharmaCompass

    Chemistry

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    Also known as: 131830-09-6, Schembl17284792
    Molecular Formula
    C20H23NO4
    Molecular Weight
    341.4  g/mol
    InChI Key
    SSVPTPGFVKXIRF-OBZTUIKSSA-N
    Naloxone Methyl Ether
    1 2D Structure

    Naloxone Methyl Ether

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4S,4aR,7aS,12bR)-4a-hydroxy-9-methoxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
    2.1.2 InChI
    InChI=1S/C20H23NO4/c1-3-9-21-10-8-19-16-12-4-5-14(24-2)17(16)25-18(19)13(22)6-7-20(19,23)15(21)11-12/h3-5,15,18,23H,1,6-11H2,2H3/t15-,18+,19+,20-/m0/s1
    2.1.3 InChI Key
    SSVPTPGFVKXIRF-OBZTUIKSSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 131830-09-6

    2. Schembl17284792

    2.3 Create Date
    2016-02-23
    3 Chemical and Physical Properties
    Molecular Weight 341.4 g/mol
    Molecular Formula C20H23NO4
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area59
    Heavy Atom Count25
    Formal Charge0
    Complexity609
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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