(+)-Ephedrine

Synopsis, Chemistry

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Also known as: (+)-ephedrine, L-(+)-ephedrine, Racephedrine, 321-98-2, 90-81-3, Ephedrine, (+)-

Molecular Formula

C₁₀H₁₅NO

Molecular Weight

165.23 g/mol

InChI Key

KWGRBVOPPLSCSI-PSASIEDQSA-N

FDA UNII

72087NSY56

1 2D Structure

(+-)-Ephedrine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol

2.1.2 InChI

InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m1/s1

2.1.3 InChI Key

KWGRBVOPPLSCSI-PSASIEDQSA-N

2.1.4 Canonical SMILES

CC(C(C1=CC=CC=C1)O)NC

2.1.5 Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)NC

2.2 Other Identifiers

2.2.1 UNII

72087NSY56

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. (+)-ephedrine

2. L-(+)-ephedrine

3. Racephedrine

4. 321-98-2

5. 90-81-3

6. Ephedrine, (+)-

7. (1s,2r)-ephedrine

8. (1s,2r)-2-(methylamino)-1-phenylpropan-1-ol

9. 03vry66076

10. 72087nsy56

11. ( Inverted Exclamation Marka)-ephedrine

12. (+)-ephedrin

13. (+)-(1s,2r)-ephedrine

14. Ephedrine Dl-form

15. (+)-ephedrine Anhydrous

16. Benzenemethanol, .alpha.-[(1r)-1-(methylamino)ethyl]-, (.alpha.s)-rel-

17. 2-methylamino-1-phenylpropan-1-ol

18. (+-)-ephedrine

19. (1r,2s)-(-)-ephedrine

20. Einecs 206-293-3

21. Racephedrine [inn:ban]

22. Brn 4231286

23. Unii-03vry66076

24. Unii-72087nsy56

25. .psi.-ephedrine

26. .psi.-ephedrin

27. Benzenemethanol, .alpha.-((1r)-1-(methylamino)ethyl)-, (.alpha.s)-rel-

28. Einecs 202-017-0

29. D-.psi.-ephedrine

30. D-(-)-ephedrine

31. (+/-)-ephedrine

32. Novafed (salt/mix)

33. Sinufed (salt/mix)

34. Brn 3197916

35. Tussaphed (salt/mix)

36. (+)-erythro-ephedrine

37. Ephedrine, D-(-)-

38. Symptom 2 (salt/mix)

39. Benzenemethanol, Alpha-((1r)-1-(methylamino)ethyl)-, (alphas)-

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

41. L(+)-.psi.-ephedrine

42. Racephedrine [inn]

43. .psi.-ephedrine, (+)-

44. (1s,2r)-(-)-ephedrine

45. 4-13-00-01881 (beilstein Handbook Reference)

46. Racephedrine [who-dd]

47. Schembl420779

48. Ephedrine, (+-)-

49. Benzenemethanol, .alpha.-[1-(methylamino)ethyl]-, [s-(r*,r*)]-

50. Ephedrine Dl-form [mi]

51. Chembl2110656

52. Niosh/kb0650000

53. Hy-b0980a

54. Zinc74840

55. Alpha-(1-(methylaminoethyl)benzenemethanol, (s-(r*,s*)-

56. Dtxsid20891194

57. Dtxsid60889333

58. Benzenemethanol, .alpha.-[(1r)-1-(methylamino)ethyl]-, (.alpha.s)-

59. Pdsp1_001345

60. Pdsp2_001329

61. Pdsp2_001331

62. Akos027326694

63. Cs-4471

64. Kb06500000

65. 2-(methylamino)-1-phenyl-1-propanol, D-.psi.- #

66. Q22330463

67. (r*,s*)-(+-)-alpha-(1-(methylamino)ethyl)benzyl Alcohol

68. [s-(r*,r*)]-.alpha.-[1-(methylamino)ethyl]benzenemethanol

69. .alpha.-((1s)-1-(methylamino)ethyl)benzyl Alcohol, (.alpha.s)-

70. .alpha.-[(1s)-1-(methylamino)ethyl]benzenemethanol, (.alpha.s)-

71. Benzenemethanol, Alpha-(1-(methylamino)ethyl)-, (r*,s*)-(+-)-

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

73. Benzenemethanol, Alpha-((1r)-1-(methylamino)ethyl)-, (alphas)-rel-

74. Benzenemethanol, .alpha.-(1-(methylamino)ethyl)-, (r*,s*)-(+/-)-

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₅NO
Molecular Weight	165.23 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	165.115364102 g/mol
Monoisotopic Mass	165.115364102 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	121
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	1