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    Phenylephrine Bitartrate

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: L-phenylephrine bitartrate, 14787-58-7, 17162-39-9, 2,3-dihydroxybutanedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol, Phenylephrine hydrogentartrate, (r)-phenylephrine bitartrate
    Molecular Formula
    C13H19NO8
    Molecular Weight
    317.29  g/mol
    InChI Key
    NHKOTKKHHYKARN-UHFFFAOYSA-N
    Phenylephrine Bitartrate is the bitartrate salt form of phenylephrine, a direct-acting sympathomimetic amine chemically related to adrenaline and ephedrine with potent vasoconstricting activity. Phenylephrine is a post-synaptic alpha-adrenergic receptor agonist that causes vasoconstriction, increases systolic/diastolic pressures, reflex bradycardia, and increases stroke output.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-dihydroxybutanedioic acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol
    2.1.2 InChI
    InChI=1S/C9H13NO2.C4H6O6/c1-10-6-9(12)7-3-2-4-8(11)5-7;5-1(3(7)8)2(6)4(9)10/h2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)
    2.1.3 InChI Key
    NHKOTKKHHYKARN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNCC(C1=CC(=CC=C1)O)O.C(C(C(=O)O)O)(C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. L-phenylephrine Bitartrate

    2. 14787-58-7

    3. 17162-39-9

    4. 2,3-dihydroxybutanedioic Acid;3-[1-hydroxy-2-(methylamino)ethyl]phenol

    5. Phenylephrine Hydrogentartrate

    6. (r)-phenylephrine Bitartrate

    7. Schembl156709

    8. L-phenylephrinebitartrate

    9. Dtxsid40627790

    10. Bcp19493

    11. Akos015909669

    12. Db-043871

    13. Ft-0630437

    14. J-008423

    15. 2,3-dihydroxybutanedioic Acid--3-[1-hydroxy-2-(methylamino)ethyl]phenol (1/1)

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 317.29 g/mol
    Molecular Formula C13H19NO8
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count6
    Exact Mass317.11106656 g/mol
    Monoisotopic Mass317.11106656 g/mol
    Topological Polar Surface Area168 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity264
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count3
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2