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Chemistry

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Also known as: Oxedrine tartrate, Corvasymton, Simpadren, Sympathomim, 16589-24-5, Cardiodinamin

Molecular Formula

C₂₂H₃₂N₂O₁₀

Molecular Weight

484.5 g/mol

InChI Key

KZZBAIXGUQOHKI-CEAXSRTFSA-N

FDA UNII

9I99I5995J

1 2D Structure

Cardiodinamin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3R)-2,3-dihydroxybutanedioic acid;4-[1-hydroxy-2-(methylamino)ethyl]phenol

2.1.2 InChI

InChI=1S/2C9H13NO2.C4H6O6/c2*1-10-6-9(12)7-2-4-8(11)5-3-7;5-1(3(7)8)2(6)4(9)10/h2*2-5,9-12H,6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1

2.1.3 InChI Key

KZZBAIXGUQOHKI-CEAXSRTFSA-N

2.1.4 Canonical SMILES

CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.C(C(C(=O)O)O)(C(=O)O)O

2.1.5 Isomeric SMILES

CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

9I99I5995J

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Oxedrine Tartrate

2. Corvasymton

3. Simpadren

4. Sympathomim

5. 16589-24-5

6. Cardiodinamin

7. 9i99i5995j

8. Sympacor

9. Sympalept

10. Sympatizin

11. (2r,3r)-2,3-dihydroxybutanedioic Acid;4-[1-hydroxy-2-(methylamino)ethyl]phenol

12. Synephrinium Tartaricum

13. Sinefrina Tartrato

14. Sinefrina Tartrato [italian]

15. Einecs 200-642-3

16. P-hydroxyphenylmethylaminoaethanoltartrat

17. Oxyphenyl-methylamino-aethanolum Tartaricum

18. Unii-9i99i5995j

19. Einecs 240-647-8

20. Dacryoboraline (tn)

21. (+-)-1-(4-hydroxyphenyl)-2-methylaminoethanol Tartrate

22. (+-)-1-(4-idrossifenil)-2-metilaminoetanolo Tartrato [italian]

23. Bis(rs)-4-hydroxy-alpha-(methylaminomethyl)benzylalkohol)-(rr)-tartrat

24. Synephrine Tartrate (salt)

25. Oxedrine Hemitartrate

26. (+-)-1-(4-idrossifenil)-2-metilaminoetanolo Tartrato

27. Synephrine Tartrate [mi]

28. Synephrine Tartrate, Dl-

29. Dtxsid10985819

30. Oxedrine Tartrate [mart.]

31. Oxedrine Tartrate [who-dd]

32. Bcp13680

33. Mfcd00151120

34. 2,3-dihydroxybutanedioic Acid,4-[1-hydroxy-2-(methylamino)ethyl]phenol

35. Akos015909769

36. Benzyl Alcohol, P-hydroxy-alpha-((methylamino)methyl)-, Tartrate (2:1) (salt)

37. As-74464

38. D08308

39. D92240

40. Q27272589

41. (rs)-1-(4-hydroxyphenyl)-2-(methylamino)ethanol Tartrate

42. Bis((beta,4-dihydroxyphenethyl)methylammonium) (r-(r*,r*))-tartrate

43. (2r,3r)-2,3-dihydroxybutanedioic Acid; Bis(4-[1-hydroxy-2-(methylamino)ethyl]phenol)

44. 2,3-dihydroxybutanedioic Acid--4-[1-hydroxy-2-(methylamino)ethyl]phenol (1/2)

45. Benzenemethanol, 4-hydroxy-.alpha.-((methylamino)methyl)-, (2r,3r)-2,3-dihydroxybutanedioate (2:1)

46. Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, (2r,3r)-2,3-dihydroxybutanedioate (2:1) (salt)

47. Benzenemethanol, 4-hydroxy-alpha-((methylamino)methyl)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (2:1) (salt)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₂N₂O₁₀
Molecular Weight	484.5 g/mol
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	9
Exact Mass	484.20569522 g/mol
Monoisotopic Mass	484.20569522 g/mol
Topological Polar Surface Area	220 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3