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    Oxyfedrine Hydrochloride

    INTERMEDIATES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 16777-42-7, Oxyfedrine hcl, Ildamen, Modacor, L-oxyfedrine hydrochloride, Oxyfedrine l-form hydrochloride
    Molecular Formula
    C19H24ClNO3
    Molecular Weight
    349.8  g/mol
    InChI Key
    JMUPNNYLJGSMPK-JPJJPTBZSA-N
    FDA UNII
    63CF9XK7DA
    A drug used in the treatment of angina pectoris, heart failure, conduction defects, and myocardial infarction. It is a partial agonist at beta adrenergic receptors and acts as a coronary vasodilator and cardiotonic agent.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C19H23NO3.ClH/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2;/h3-10,13-14,19-20,22H,11-12H2,1-2H3;1H/t14-,19-;/m0./s1
    2.1.3 InChI Key
    JMUPNNYLJGSMPK-JPJJPTBZSA-N
    2.1.4 Canonical SMILES
    CC(C(C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl
    2.1.5 Isomeric SMILES
    C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    63CF9XK7DA
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Ildamen

    2. Myofedrin

    3. Oxifedrine

    4. Oxiphedrin

    5. Oxyfedrine

    6. Oxyphedrin

    2.3.2 Depositor-Supplied Synonyms

    1. 16777-42-7

    2. Oxyfedrine Hcl

    3. Ildamen

    4. Modacor

    5. L-oxyfedrine Hydrochloride

    6. Oxyfedrine L-form Hydrochloride

    7. Oxyfedrine Hydrochloride, Dl-

    8. 63cf9xk7da

    9. H1cac99b4d

    10. 14223-94-0

    11. Oxyfedrine L-form Hcl

    12. Oxyfedrin

    13. Dsstox_cid_28558

    14. Dsstox_rid_82830

    15. Dsstox_gsid_48632

    16. 3-[[(1r,2s)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride

    17. Oxyfedrine Hydrochloride (jan)

    18. Oxyfedrine Hydrochloride [jan]

    19. Myophedrine

    20. D,l-oxyphedrine

    21. 1-propanone, 3-[[(1s,2r)-2-hydroxy-1-methyl-2-phenylethyl]amino]-1-(3-methoxyphenyl)-, Hydrochloride (1:1)

    22. Cas-16777-42-7

    23. Dl-oxyfedrine Hydrochloride

    24. Fda 1576

    25. Ncgc00182060-02

    26. Einecs 240-828-1

    27. Unii-h1cac99b4d

    28. Oxyfedrine Dl-form Hydrochloride

    29. D563

    30. D 563

    31. Propiophenone, 3-((beta-hydroxy-alpha-methylphenethyl)amino)-3'-methoxy-, Hydrochloride, D,l-

    32. 1-propanone, 3-(((1s,2r)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-, Hydrochloride (1:1)

    33. Ildamen (tn)

    34. Unii-63cf9xk7da

    35. L-3-methoxy-omega-(1-hydroxy-1-phenylisopropylamino)propiophenone Hydrochloride

    36. 1-propanone, 3-((2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-, Hcl, L-

    37. L-(1-hydroxy-1-phenyl-2-propylamino)-1-(m-methoxyphenyl)-1-propanone Hydrochloride

    38. L-3-(beta-hydroxy-alpha-methyl-phenethylamino)-3'-methoxypropiophenone, Hydrochloride

    39. Schembl209076

    40. Chembl2354521

    41. Dtxsid0048632

    42. Fda-1576

    43. Tox21_112976

    44. Akos037653995

    45. Tox21_112976_1

    46. Ks-1460

    47. 1-propanone, 3-((2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-, Hcl, D,l-

    48. D,l-3-(beta-hydroxy-alpha-methyl-phenethylamino)-3'-methoxypropiophenone, Hydrochloride

    49. Oxyfedrine Hydrochloride [mart.]

    50. Oxyfedrine Hydrochloride, (-)-

    51. Propiophenone, 3-((beta-hydroxy-alpha-methylphenethyl)amino)-3'-methoxy-, Hydrochloride, (-)-

    52. Ncgc00182060-03

    53. Oxyfedrine Hydrochloride [who-dd]

    54. (r*,s*)-(+-)-3-((2-hydroxy-1-methyl-2-phenethyl)amino)-1-(3-methoxyphenyl)-1-propanone Hydrochloride

    55. (r-(r*,s*))-3-((2-hydroxy-1-methyl-2-phenylethyl)amino)-3'-methoxypropiophenone Hydrochloride

    56. 1-propanone, 3-((2-hydroxy-1-methyl-2-phenethyl)amino)-1-(3-methoxyphenyl)-, Hcl, (r*,s*)-

    57. D-563

    58. Oxyfedrine Dl-form Hydrochloride [mi]

    59. Oxyfedrine L-form Hydrochloride [mi]

    60. D01233

    61. A810903

    62. 1-(3-methoxyphenyl)-3-[[(1r,2s)-1-oxidanyl-1-phenyl-propan-2-yl]amino]propan-1-one Hydrochloride

    63. 1-propanone, 3-(((1r,2s)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-, Hydrochloride (1:1), Rel-

    64. 1-propanone, 3-((2-hydroxy-1-methyl-2-phenethyl)amino)-1-(3-methoxyphenyl)-, Hydrochloride, (r*,s*)-(+-)-

    65. 3-(((.alpha.s,.beta.r)-.beta.-hydroxy-.alpha.-methylphenethyl)amino)-3'-methoxypropiophenone Hydrochloride

    66. 3-((1r,2s)-1-hydroxy-1-phenylpropan-2-ylamino)-1-(3-methoxyphenyl)propan-1-one Hydrochloride

    67. 3-[[(1r,2s)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)-1-propanone Hydrochloride

    68. Propiophenone, 3-((.beta.-hydroxy-.alpha.-methylphenethyl)amino)-3'-methoxy-, Hydrochloride, (-)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 349.8 g/mol
    Molecular Formula C19H24ClNO3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count8
    Exact Mass349.1444713 g/mol
    Monoisotopic Mass349.1444713 g/mol
    Topological Polar Surface Area58.6 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity355
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Adrenergic beta-Agonists

    Drugs that selectively bind to and activate beta-adrenergic receptors. (See all compounds classified as Adrenergic beta-Agonists.)

    Cardiotonic Agents

    Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE). (See all compounds classified as Cardiotonic Agents.)

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)