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    Technical details about Quinine Formate, learn more about the structure, uses, toxicity, action, side effects and more

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    Quinine Formate

    MARKET PLACE

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 130-90-5, F87792011e, (r)-[(2s,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;formic acid, Quinine, formate (salt), Ameisensaure chinin, Unii-f87792011e
    Molecular Formula
    C21H26N2O4
    Molecular Weight
    370.4  g/mol
    InChI Key
    LKUVXQMSYPYURB-DSXUQNDKSA-N
    FDA UNII
    F87792011E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;formic acid
    2.1.2 InChI
    InChI=1S/C20H24N2O2.CH2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2-1-3/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H,(H,2,3)/t13-,14-,19-,20+;/m0./s1
    2.1.3 InChI Key
    LKUVXQMSYPYURB-DSXUQNDKSA-N
    2.1.4 Canonical SMILES
    COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C(=O)O
    2.1.5 Isomeric SMILES
    COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    F87792011E
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 130-90-5

    2. F87792011e

    3. (r)-[(2s,4s,5r)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;formic Acid

    4. Quinine, Formate (salt)

    5. Ameisensaure Chinin

    6. Unii-f87792011e

    7. Einecs 205-002-7

    8. Formic Acid, Compd. With Quinine (1:1)

    9. Schembl1171129

    10. Dtxsid50156283

    11. Quinine Formate [who-dd]

    12. Quinine, Formate (1:1) (salt)

    13. Q27277800

    14. Cinchonan-9-ol, 6'-methoxy-, (8.alpha.,9r)-, Monoformate (salt)

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 370.4 g/mol
    Molecular Formula C21H26N2O4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass370.18925731 g/mol
    Monoisotopic Mass370.18925731 g/mol
    Topological Polar Surface Area82.9 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity467
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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