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    Technical details about CAS 220352-39-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 220352-39-6

    Manufacturers/Suppliers

    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: 220352-39-6, (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r,3r)-2,3-dihydroxybutanedioate, Cyclopropanamine,2-(3,4-difluorophenyl)-(1r,2s)-(2r,3r)-2,3-dihydroxybutanedioate, (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2r,3r)-2,3-dihydroxybutanedioic acid, Schembl1509199, Dtxsid40680608
    Molecular Formula
    C13H15F2NO6
    Molecular Weight
    319.26  g/mol
    InChI Key
    FXPRRXBPZROCLZ-ABXGAMCJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2R,3R)-2,3-dihydroxybutanedioic acid
    2.1.2 InChI
    InChI=1S/C9H9F2N.C4H6O6/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;5-1(3(7)8)2(6)4(9)10/h1-3,6,9H,4,12H2;1-2,5-6H,(H,7,8)(H,9,10)/t6-,9+;1-,2-/m01/s1
    2.1.3 InChI Key
    FXPRRXBPZROCLZ-ABXGAMCJSA-N
    2.1.4 Canonical SMILES
    C1C(C1N)C2=CC(=C(C=C2)F)F.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]1N)C2=CC(=C(C=C2)F)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 220352-39-6

    2. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine (2r,3r)-2,3-dihydroxybutanedioate

    3. Cyclopropanamine,2-(3,4-difluorophenyl)-(1r,2s)-(2r,3r)-2,3-dihydroxybutanedioate

    4. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine;(2r,3r)-2,3-dihydroxybutanedioic Acid

    5. Schembl1509199

    6. Dtxsid40680608

    7. Amy38691

    8. Mfcd22648279

    9. Akos016004944

    10. Ds-3824

    11. Ex-7183

    12. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine(2r,3r)-2,3-dihydroxysuccinate

    13. Cs-0157171

    14. C74114

    15. A878789

    16. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanamine L-tartaric Acid

    17. (1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine; (2r,3r)-2,3-dihydroxybutanedioic Acid

    18. (2r,3r)-2,3-dihydroxybutanedioic Acid--(1r,2s)-2-(3,4-difluorophenyl)cyclopropan-1-amine (1/1)

    2.3 Create Date
    2011-05-31
    3 Chemical and Physical Properties
    Molecular Weight 319.26 g/mol
    Molecular Formula C13H15F2NO6
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count4
    Exact Mass319.08674352 g/mol
    Monoisotopic Mass319.08674352 g/mol
    Topological Polar Surface Area141 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity308
    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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