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    Pseudoephedrine Sulfate

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    2D Structure
    Also known as: Afrinol, 7460-12-0, Sch 4855, D-isoephedrine sulfate, Pseudoephedrine sulphate, D-pseudoephedrine sulfate
    Molecular Formula
    C20H32N2O6S
    Molecular Weight
    428.5  g/mol
    InChI Key
    CAVQBDOACNULDN-NRCOEFLKSA-N
    FDA UNII
    Y9DL7QPE6B
    Pseudoephedrine Sulfate is the sulfate salt form of pseudoephedrine, a phenethylamine and a diastereomer of ephedrine with sympathomimetic property. Pseudoephedrine sulfate displaces norepinephrine from storage vesicles in presynaptic neurones, thereby releasing norepinephrine into the neuronal synapses where it stimulates primarily alpha-adrenergic receptors. It also has weak direct agonist activity at alpha- and beta- adrenergic receptors. Receptor stimulation results in vasoconstriction and decreases nasal and sinus congestion.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfuric acid
    2.1.2 InChI
    InChI=1S/2C10H15NO.H2O4S/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h2*3-8,10-12H,1-2H3;(H2,1,2,3,4)/t2*8-,10+;/m00./s1
    2.1.3 InChI Key
    CAVQBDOACNULDN-NRCOEFLKSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC=CC=C1)O)NC.CC(C(C1=CC=CC=C1)O)NC.OS(=O)(=O)O
    2.1.5 Isomeric SMILES
    C[C@@H]([C@H](C1=CC=CC=C1)O)NC.C[C@@H]([C@H](C1=CC=CC=C1)O)NC.OS(=O)(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    Y9DL7QPE6B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Afrinol

    2. 7460-12-0

    3. Sch 4855

    4. D-isoephedrine Sulfate

    5. Pseudoephedrine Sulphate

    6. D-pseudoephedrine Sulfate

    7. Y9dl7qpe6b

    8. Sch-4855

    9. (+)-pseudoephedrine Sulfate

    10. (+)-pseudoephedrine Sulphate

    11. Disobrom Component Pseudoephedrine Sulfate

    12. Drixoral Component Pseudoephedrine Sulfate

    13. Resporal Component Pseudoephedrine Sulfate

    14. Trinalin Component Pseudoephedrine Sulfate

    15. Disophrol Component Pseudoephedrine Sulfate

    16. Brompheril Component Pseudoephedrine Sulfate

    17. Clarinex-d Component Pseudoephedrine Sulfate

    18. Claritin-d Component Pseudoephedrine Sulfate

    19. Pseudoephedrine Sulfate Component Of Disobrom

    20. Pseudoephedrine Sulfate Component Of Disophrol

    21. Pseudoephedrine Sulfate Component Of Drixoral

    22. Pseudoephedrine Sulfate Component Of Resporal

    23. Pseudoephedrine Sulfate Component Of Trinalin

    24. Drixoral Plus Component Pseudoephedrine Sulfate

    25. Pseudoephedrine Sulfate Component Of Brompheril

    26. Pseudoephedrine Sulfate Component Of Clarinex-d

    27. Pseudoephedrine Sulfate Component Of Claritin-d

    28. Pseudoephedrine Sulfate Component Of Drixoral Plus

    29. Afrin Tablets

    30. Duration Tablets

    31. Drixoral Nd

    32. Pseudoephedrine Sulfate (mart.)

    33. Pseudoephedrine Sulfate [mart.]

    34. Pseudoephedrine Sulfate (usp-rs)

    35. Pseudoephedrine Sulfate [usp-rs]

    36. Chlor-trimeton Nd

    37. Pseudoephedrine Sulfate (usp Monograph)

    38. Pseudoephedrine Sulfate [usp Monograph]

    39. Unii-y9dl7qpe6b

    40. Pseudoephedrine Sulfate [usan]

    41. Afrinol (tn)

    42. Einecs 231-243-2

    43. Pseudoephedrine Sulfate [usan:usp]

    44. (1s,2s)-2-(methylamino)-1-phenylpropan-1-ol;sulfuric Acid

    45. (+)-pseudoephedrine Sulfate (2:1) (salt)

    46. Ec 231-243-2

    47. Schembl41308

    48. Pseudoephedrine Sulfate (usp)

    49. Threo-1-hydroxy-2-methylamino-1-phenylpropane Sulfate

    50. Chembl3989855

    51. Dtxsid20889379

    52. Pseudoephedrine Sulfate [mi]

    53. Pseudoephedrine Sulfate [vandf]

    54. Benzenemethanol, .alpha.-[(1s)-1-(methylamino)ethyl]-, (.alpha.s)-, Sulfate (2:1) (salt)

    55. Benzenemethanol, Alpha-(1-(methylamino)ethyl)-, (s-(r*,r*))-, Sulfate (2:1) (salt)

    56. Pseudoephedrine Sulfate [who-dd]

    57. Pseudoephedrine Sulfate [orange Book]

    58. D05649

    59. Q27294410

    60. Pseudoephedrine Sulfate, United States Pharmacopeia (usp) Reference Standard

    61. Benzenemethanol, .alpha.-(1-(methylamino)ethyl)-, (s-(r (sup *),r (sup *))-

    62. Benzenemethanol, .alpha.-[(1s)-1-(methylamino)ethyl]-, (.alpha.s)-, Sulfate (2:1)

    63. Benzenemethanol, Alpha-((1s)-1-(methylamino)ethyl)-, (alphas)-, Sulfate (2:1)

    64. Benzenemethanol, Alpha-((1s)-1-(methylamino)ethyl)-, (alphas)-, Sulfate (2:1) (salt)

    65. Benzenemethanol, Alpha-((1s)-1-(methylamino)ethyl)-, (alphas)-,sulfate (2:1) (salt)

    66. Benzenemethanol, Alpha-(1-(methylamino)ethyl)-, (s-(r (sup *),r (sup *))-

    67. Bis((s-(r*,r*))-(beta-hydroxy-alpha-methylphenethyl)methylammonium) Sulphate

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 428.5 g/mol
    Molecular Formula C20H32N2O6S
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area148
    Heavy Atom Count29
    Formal Charge0
    Complexity202
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3