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    Chemistry

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    Also known as: 38455-90-2, (-)-methylephedrine hydrochloride, Methylephedrine hydrochloride, Methylephedrine hydrochloride, dl-, 18760-80-0, L-methylephedrine hydrochloride [jan]
    Molecular Formula
    C11H18ClNO
    Molecular Weight
    215.72  g/mol
    InChI Key
    NTCYWJCEOILKNG-ROLPUNSJSA-N
    FDA UNII
    8ONA78V6FO
    CAS 38455-90-2
    1 2D Structure

    CAS 38455-90-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
    2.1.2 InChI
    InChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H/t9-,11-;/m0./s1
    2.1.3 InChI Key
    NTCYWJCEOILKNG-ROLPUNSJSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC=CC=C1)O)N(C)C.Cl
    2.1.5 Isomeric SMILES
    C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    8ONA78V6FO
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 38455-90-2

    2. (-)-methylephedrine Hydrochloride

    3. Methylephedrine Hydrochloride

    4. Methylephedrine Hydrochloride, Dl-

    5. 18760-80-0

    6. L-methylephedrine Hydrochloride [jan]

    7. Dl-methylephedrine Hydrochloride [jan]

    8. 8ona78v6fo

    9. Nsc-42289

    10. 99214p83xm

    11. (1r,2s)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride

    12. Methy F

    13. L-n-methylephedrine Hydrochloride

    14. N-methylephedrine Hydrochloride

    15. Rac-methyl Ephedrine Hydrochloride

    16. L-methylephedrine Hydrochloride (jan)

    17. N-methyl (-)ephedrine

    18. Einecs 253-947-9

    19. Nsc 42289

    20. L-erythro-methylephedrine Hydrochloride

    21. Unii-8ona78v6fo

    22. Unii-99214p83xm

    23. Dl-n-methylephedrine Hydrochloride

    24. Einecs 242-557-4

    25. Metheph

    26. (r-(r*,s*))-alpha-(1-(dimethylamino)ethyl)benzenemethanol Hydrochloride

    27. Benzenemethanol, Alpha-(1-(dimethylamino)ethyl)-, Hydrochloride, (r-(r*,s*))-

    28. Schembl68363

    29. Dtxsid10191776

    30. (1r,2s)-2-(dimethylamino)-1-phenylpropan-1-ol Hydrochloride

    31. Nsc42289

    32. Methylephedrine Hydrochloride-dl

    33. N-methylephedrine Hydrochloride [mi]

    34. N-methylephedrine Hydrochloride, Dl-

    35. Benzenemethanol,a-[1-(dimethylamino)ethyl]-

    36. Methylephedrine Hydrochloride [mart.]

    37. N,n-dimethylnorephedrine Hydrochloride

    38. D01952

    39. Methylephedrine Hydrochloride, (+/-)-

    40. Methylephedrine Hydrochloride-dl [who-dd]

    41. N-methylephedrine Dl-form Hydrochloride [mi]

    42. 2-dimethylamino-1-phenylpropanol Hydrochloride

    43. .alpha.-(1-(dimethylamino)ethyl)benzenemethanol Hydrochloride

    44. (r*,s*)-(1)-alpha-(1-(dimethylamino)ethyl)benzyl Alcohol Hydrochloride

    45. Erythro-.alpha.-(1-(dimethylamino)ethyl)benzyl Alcohol Hydrochloride

    46. Benzenemethanol, .alpha.-(1-(dimethylamino)ethyl)-, Hydrochloride, (r*,s*)-(+/-)-

    47. Benzenemethanol, Alpha-(1-(dimethylamino)ethyl)-, Hydrochloride, (r*,s*)-(+-)-

    48. Benzyl Alcohol, Alpha-(1-(dimethylamino)ethyl)-, Hydrochloride, Erythro- (+-)-

    49. Benzenemethanol, .alpha.-((1s)-1-(dimethylamino)ethyl)-, Hydrochloride (1:1), (.alpha.r)-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 215.72 g/mol
    Molecular Formula C11H18ClNO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass215.1076919 g/mol
    Monoisotopic Mass215.1076919 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity141
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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