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    Levalbuterol Tartrate

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    2D Structure
    Also known as: 661464-94-4, (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (2r,3r)-2,3-dihydroxysuccinate, (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxy-methyl)phenol (2r,3r)-2,3-dihydroxysuccinate, (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (2r,3r)-2,3-dihydroxysuccinic acid
    Molecular Formula
    C17H27NO9
    Molecular Weight
    389.4  g/mol
    InChI Key
    SQOXPNYIJRDVRE-RVHANOPWSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;(2R,3R)-2,3-dihydroxybutanedioic acid
    2.1.2 InChI
    InChI=1S/C13H21NO3.C4H6O6/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;5-1(3(7)8)2(6)4(9)10/h4-6,12,14-17H,7-8H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-;1-,2-/m01/s1
    2.1.3 InChI Key
    SQOXPNYIJRDVRE-RVHANOPWSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)O.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    CC(C)(C)NC[C@@H](C1=CC(=C(C=C1)O)CO)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 661464-94-4

    2. (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (2r,3r)-2,3-dihydroxysuccinate

    3. (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxy-methyl)phenol (2r,3r)-2,3-dihydroxysuccinate

    4. (r)-4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol (2r,3r)-2,3-dihydroxysuccinic Acid

    2.3 Create Date
    2010-12-22
    3 Chemical and Physical Properties
    Molecular Weight 389.4 g/mol
    Molecular Formula C17H27NO9
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count8
    Exact Mass389.16858144 g/mol
    Monoisotopic Mass389.16858144 g/mol
    Topological Polar Surface Area188 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity361
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2