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    Technical details about Rasagiline Tartrate, learn more about the structure, uses, toxicity, action, side effects and more

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    Rasagiline Tartrate

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    2D Structure
    1. Also known as: 136236-52-7, B9a329cn07, (2r,3r)-2,3-dihydroxybutanedioic acid;(1r)-n-prop-2-ynyl-2,3-dihydro-1h-inden-1-amine, Unii-b9a329cn07, Rasagiline (tn), Rasagiline hemitartrate
    Molecular Formula
    C28H32N2O6
    Molecular Weight
    492.6  g/mol
    InChI Key
    YGKHOZXCTLKSLJ-KHAGDFGNSA-N
    FDA UNII
    B9A329CN07
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R)-2,3-dihydroxybutanedioic acid;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
    2.1.2 InChI
    InChI=1S/2C12H13N.C4H6O6/c2*1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;5-1(3(7)8)2(6)4(9)10/h2*1,3-6,12-13H,7-9H2;1-2,5-6H,(H,7,8)(H,9,10)/t2*12-;1-,2-/m111/s1
    2.1.3 InChI Key
    YGKHOZXCTLKSLJ-KHAGDFGNSA-N
    2.1.4 Canonical SMILES
    C#CCNC1CCC2=CC=CC=C12.C#CCNC1CCC2=CC=CC=C12.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    C#CCN[C@@H]1CCC2=CC=CC=C12.C#CCN[C@@H]1CCC2=CC=CC=C12.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    B9A329CN07
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 136236-52-7

    2. B9a329cn07

    3. (2r,3r)-2,3-dihydroxybutanedioic Acid;(1r)-n-prop-2-ynyl-2,3-dihydro-1h-inden-1-amine

    4. Unii-b9a329cn07

    5. Rasagiline (tn)

    6. Rasagiline Hemitartrate

    7. Schembl2031233

    8. Rasagiline Tartrate [who-dd]

    9. D10829

    10. Q27274543

    11. 1-h-inden-1-amine, 2,3-dihydro-n-2-propyn-1-yl-, 1(r)-, (2r,3r)-2,3-dihydroxybutanedioate (2:1)

    12. 950981-99-4

    2.4 Create Date
    2013-06-11
    3 Chemical and Physical Properties
    Molecular Weight 492.6 g/mol
    Molecular Formula C28H32N2O6
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass492.22603674 g/mol
    Monoisotopic Mass492.22603674 g/mol
    Topological Polar Surface Area139 Ų
    Heavy Atom Count36
    Formal Charge0
    Complexity346
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
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