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(1R,2S)-L-Nmethylephedrine Base
PharmaCompass
  • Chemistry
(1R,2S)-L-Nmethylephedrine Base
Also known as: Tybraine, 552-79-4, (1r,2s)-2-(dimethylamino)-1-phenylpropan-1-ol, (-)-n-methylephedrine, Unii-60vh42a1kj, Methylephedrine [ban]
Molecular Formula
C11H17NO
Molecular Weight
179.263  g/mol
InChI Key
FMCGSUUBYTWNDP-ONGXEEELSA-N
FDA UNII
60VH42A1KJ

1 2D Structure

(1R,2S)-L-Nmethylephedrine Base

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m0/s1
2.1.3 InChI Key
FMCGSUUBYTWNDP-ONGXEEELSA-N
2.1.4 Canonical SMILES
CC(C(C1=CC=CC=C1)O)N(C)C
2.1.5 Isomeric SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C
2.2 Other Identifiers
2.2.1 UNII
60VH42A1KJ
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Methylpseudoephedrine

2. N-methylephedrine

3. N-methylephedrine Hydrochloride, (r*,r*)-(+-)-isomer

4. N-methylephedrine Hydrochloride, (r*,s*)-(+-)-isomer

5. N-methylephedrine Hydrochloride, (r*,s*)-isomer

6. N-methylephedrine Hydrochloride, (r-(r*,s*))-isomer

7. N-methylephedrine Hydrochloride, (s-(r*,r*))-isomer

8. N-methylephedrine, (r*,r*)-isomer

9. N-methylephedrine, (r*,s*)-(+-)-isomer

10. N-methylephedrine, (r*,s*)-isomer

11. N-methylephedrine, (r-(r*,s*))-isomer

12. N-methylephedrine, (s-(r*,r*))-isomer

2.3.2 Depositor-Supplied Synonyms

1. Tybraine

2. 552-79-4

3. (1r,2s)-2-(dimethylamino)-1-phenylpropan-1-ol

4. (-)-n-methylephedrine

5. Unii-60vh42a1kj

6. Methylephedrine [ban]

7. Einecs 209-022-7

8. L-erythro-2-dimethylamino-1-phenylpropanol

9. 60vh42a1kj

10. (1r,2s)-2-dimethylamino-1-phenyl-1-propanol

11. L-erythro-alpha-(1-dimethylaminoethyl)benzylalkohol

12. Methylephedrine (ban)

13. 42151-56-4

14. (1rs,2rs)-2-dimethylamino-1-phenylpropan-1-ol

15. Benzenemethanol, Alpha-((1s)-1-(dimethylamino)ethyl)-, (alphar)-

16. N-methyl (-)ephedrine

17. Methylephedrine ((1r,2s)-methylephedrine)

18. Methylephedrine [inn:ban]

19. (1s,2s)-(+)-n-methylephedrine

20. Ncgc00095782-01

21. N-methyl-l-ephedrine

22. Spectrum_000431

23. Spectrum2_001196

24. Spectrum3_000671

25. Spectrum4_000739

26. Spectrum5_001055

27. Ac1l21wz

28. Methylephedrine, (+/-)-

29. Dsstox_cid_25992

30. Dsstox_rid_81277

31. Dsstox_gsid_45992

32. Schembl99673

33. Bspbio_002361

34. Kbiogr_001038

35. Kbioss_000911

36. N-methyl(-)ephedrine

37. Zinc491

38. Divk1c_000283

39. Spectrum2300220

40. Spbio_001271

41. Chembl445001

42. Dtxsid7045992

43. (1r,2s)-(-)n-methylephedrine

44. Ctk8c4806

45. Hms500o05

46. Kbio1_000283

47. Kbio2_000911

48. Kbio2_003479

49. Kbio2_006047

50. Kbio3_001581

51. Chebi:113556

52. Fmcgsuubytwndp-ongxeeelsa-n

53. Ninds_000283

54. Hms3264g05

55. Pharmakon1600-02300220

56. Ac1q2977

57. Einecs 214-859-6

58. Tox21_111521

59. Anw-73188

60. Ccg-39547

61. Nsc760389

62. Akos006281830

63. Nsc-760389

64. Idi1_000283

65. Ncgc00178692-01

66. Ncgc00178692-02

67. Ncgc00181086-01

68. Ac-15988

69. Cas-552-79-4

70. (1r,2s)-(-)-n-methylephedrine, 99%

71. Ls-175608

72. Tc-161933

73. Ft-0770746

74. D08206

75. (-)-(1r,2s)-2-dimethylamino-1-phenylpropanol

76. (1r,2s)-(-)-2-dimethylamino-1-phenylpropanol

77. Ab00052416_02

78. (1r,2s)-2-(dimethylamino)-1-phenyl-1-propanol

79. Brd-k82236108-001-02-3

80. Brd-k82236108-001-03-1

81. Brd-k82236108-001-04-9

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

83. [r-(r*,s*)]-

84. A-[1-(dimethylamino)ethyl]benzenemethanol

85. Unii-shs9pgq2ls Component Fmcgsuubytwndp-ongxeeelsa-n

86. Methylephedrine ((1r,2s)-methylephedrine) 1.0 Mg/ml In Methanol

87. (1r,2s)-(-)-n--methylephedrine Solution, 1.0 Mg/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material

88. 1201-56-5

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 179.263 g/mol
Molecular Formula C11H17NO
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass179.131 g/mol
Monoisotopic Mass179.131 g/mol
Topological Polar Surface Area23.5 A^2
Heavy Atom Count13
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 Count1
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