MolPort-002-051-398

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Also known as: 4199-10-4, (s)-propranolol hydrochloride, Levopropranolol hydrochloride, Yp6gdu0l78, S(-)-propranolol hydrochloride, Propranolol hydrochloride, (-)-

Molecular Formula

C₁₆H₂₂ClNO₂

Molecular Weight

295.80 g/mol

InChI Key

ZMRUPTIKESYGQW-UQKRIMTDSA-N

FDA UNII

YP6GDU0L78

1 2D Structure

MolPort-002-051-398

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

2.1.2 InChI

InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/t14-;/m0./s1

2.1.3 InChI Key

ZMRUPTIKESYGQW-UQKRIMTDSA-N

2.1.4 Canonical SMILES

CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl

2.1.5 Isomeric SMILES

CC(C)NC[C@@H](COC1=CC=CC2=CC=CC=C21)O.Cl

2.2 Other Identifiers

2.2.1 UNII

YP6GDU0L78

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4199-10-4

2. (s)-propranolol Hydrochloride

3. Levopropranolol Hydrochloride

4. Yp6gdu0l78

5. S(-)-propranolol Hydrochloride

6. Propranolol Hydrochloride, (-)-

7. (s)-1-isopropylamino-3-(1-naphthyloxy)-2-propanol Hydrochloride

8. Mfcd00064547

9. (s)-(-)-propranolol (hydrochloride)

10. (2s)-1-(naphthalen-1-yloxy)-3-[(propan-2-yl)amino]propan-2-ol Hydrochloride

11. (2s)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride

12. Sr-01000076087

13. L-propranolol Chlorhydrate

14. L-propranolol Hydrochloride

15. (s)-1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-ol Hydrochloride

16. (s)-propanolol Hydrochloride

17. L-(-)-propranolol Hydrochloride

18. (s)-(-)-1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-2-propanol Hydrochloride

19. (s)-(-)-1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-2-propanol Hydrochloride

20. (2s)-1-(isopropylamino)-3-(1-naphthyloxy)propan-2-ol Hydrochloride

21. Einecs 224-096-0

22. (s)-propranolol Hcl

23. Unii-yp6gdu0l78

24. Schembl41689

25. Mls000859887

26. Spectrum1500514

27. Chembl545328

28. Hy-b0573a

29. Dtxsid50873367

30. (s)-()-propranolol Hydrochloride

31. Hms1920l20

32. Pharmakon1600-01500514

33. (s)-(-)-propranolol Hcl

34. (s)-(2-hydroxy-3-(naphthyloxy)propyl)isopropylammonium Chloride

35. S-(-)-1-isopropylamino-3-(1-naphthoxy)-2-propanol Hydrochloride

36. Tox21_501023

37. (2s)-(-)-propanolol Hydrochloride

38. Nsc757295

39. Propranolol Hydrochloride, L-

40. S5981

41. Akos015960770

42. Ccg-212772

43. Lp01023

44. 1-allyl-35-dimethylpyrazole96

45. Propranolol Hydrochloride, (s)-

46. Ncgc00261708-01

47. Ac-12294

48. As-61344

49. Smr000326749

50. B6466

51. Cs-0019986

52. Eu-0101023

53. A13428

54. P 8688

55. Sr-01000597856

56. Sr-01000076087-1

57. Sr-01000076087-5

58. Sr-01000076087-6

59. Sr-01000597856-1

60. Q27294637

61. (s)-(-)-propranolol Hydrochloride, >=98% (tlc), Powder

62. (2s)-1-(isopropylamino)-3-(1-naphthyloxy)-2-propanol Hydrochloride (1:1)

63. 2-propanol, 1-((1-methylethyl)amino)-3-(1-naphthalenyloxy)-, Hydrochloride, (s)-

64. 2-propanol, 1-(isopropylamino)-3-(1-naphthyloxy)-, Hydrochloride, (-)-

65. 2-propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (2s)-, Hydrochloride (1:1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₂₂ClNO₂
Molecular Weight	295.80 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	295.1339066 g/mol
Monoisotopic Mass	295.1339066 g/mol
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	257
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2