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    Pseudoephedrine Hydrochloride

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    2D Structure
    Also known as: 670-40-6, L-pseudoephedrine hydrochloride, Einecs 211-577-5, Schembl22824, Dtxsid20217198, (r-(r*,r*))-alpha-(1-(methylamino)ethyl)benzyl alcohol hydrochloride
    Molecular Formula
    C10H16ClNO
    Molecular Weight
    201.69  g/mol
    InChI Key
    BALXUFOVQVENIU-SCYNACPDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2R)-2-(methylamino)-1-phenylpropan-1-ol;hydrochloride
    2.1.2 InChI
    InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H/t8-,10+;/m1./s1
    2.1.3 InChI Key
    BALXUFOVQVENIU-SCYNACPDSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC=CC=C1)O)NC.Cl
    2.1.5 Isomeric SMILES
    C[C@H]([C@@H](C1=CC=CC=C1)O)NC.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 670-40-6

    2. L-pseudoephedrine Hydrochloride

    3. Einecs 211-577-5

    4. Schembl22824

    5. Dtxsid20217198

    6. (r-(r*,r*))-alpha-(1-(methylamino)ethyl)benzyl Alcohol Hydrochloride

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 201.69 g/mol
    Molecular Formula C10H16ClNO
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass201.0920418 g/mol
    Monoisotopic Mass201.0920418 g/mol
    Topological Polar Surface Area32.3 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity121
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2