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ACTIVE PHARMA INGREDIENTS

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Chemistry

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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

Synephrine Hydrochloride

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 Formula	C₉H₁₄ClNO₂
Molecular Weight	203.66 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	203.0713064 g/mol
Monoisotopic Mass	203.0713064 g/mol
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2