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2D Structure
Also known as: 5985-28-4, Synephrine hcl, 4-(1-hydroxy-2-(methylamino)ethyl)phenol hydrochloride, Oxedrine hydrochloride, 4-[1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride, Synephrine (hydrochloride)
Molecular Formula
C9H14ClNO2
Molecular Weight
203.66  g/mol
InChI Key
COTCEGYSNTWJQV-UHFFFAOYSA-N
FDA UNII
EN5D1IH09S

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
2.1.2 InChI
InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-2-4-8(11)5-3-7;/h2-5,9-12H,6H2,1H3;1H
2.1.3 InChI Key
COTCEGYSNTWJQV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNCC(C1=CC=C(C=C1)O)O.Cl
2.2 Other Identifiers
2.2.1 UNII
EN5D1IH09S
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5985-28-4

2. Synephrine Hcl

3. 4-(1-hydroxy-2-(methylamino)ethyl)phenol Hydrochloride

4. Oxedrine Hydrochloride

5. 4-[1-hydroxy-2-(methylamino)ethyl]phenol Hydrochloride

6. Synephrine (hydrochloride)

7. Synephrine, Hcl

8. Rac-synephrine Hydrochloride

9. Mfcd00050566

10. En5d1ih09s

11. 4-[1-hydroxy-2-(methylamino)ethyl]phenol 2,3-dihydroxysuccinate (salt)

12. Oxedrine Hcl

13. Ocuton (tn)

14. 4-[1-hydroxy-2-(methylamino)ethyl]phenol,hydrochloride

15. Schembl1487703

16. (+/-)-synephrine Hydrochloride

17. Hy-n0132a

18. Dtxsid70975251

19. Act02673

20. 2-hydroxy-2-(4-hydroxyphenyl)-n-methylethanaminium Chloride

21. Benzenemethanol, 4-hydroxy-a-[(methylamino)methyl]-, Hydrochloride

22. S2438

23. Synephrine Hydrochloride [mi]

24. Akos015848486

25. Akos015955945

26. Oxedrine Hydrochloride [mart.]

27. Ac-1118

28. Ccg-266604

29. Oxedrine Hydrochloride [who-dd]

30. As-13932

31. Sy008896

32. Db-053476

33. Synephrine-[13c2,15n] Hydrochloride Salt

34. Ft-0635931

35. Sw197214-4

36. 4-(1-hydroxy-2-(methylamino)ethyl)phenol Hcl

37. D08309

38. 985s284

39. A832506

40. W-105297

41. Q27277256

42. 1-(4-hydroxyphenyl)-2-(methylamino)ethanol Hydrochloride

43. 4-(1-hydroxy-2-(methylamino)-ethyl)phenol Hydrochloride

44. 4-[2-(methylamino)-1-oxidanyl-ethyl]phenol Hydrochloride

45. 4-[1-hydroxy-2-(methylamino)ethyl]phenol--hydrogen Chloride (1/1)

46. (rs)-1-(4-hydroxyphenyl)-2-(methylamino)ethanol Hydrochloride

2.4 Create Date
2009-06-17
3 Chemical and Physical Properties
Molecular Weight 203.66 g/mol
Molecular Formula C9H14ClNO2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass203.0713064 g/mol
Monoisotopic Mass203.0713064 g/mol
Topological Polar Surface Area52.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2