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Oxyfedrine Hydrochloride

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Chemistry

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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

Oxyfedrine Hydrochloride

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 Formula	C₁₉H₂₄ClNO₃
Molecular Weight	349.8 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	349.1444713 g/mol
Monoisotopic Mass	349.1444713 g/mol
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	355
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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.)

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