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CAS 14216-22-9
PharmaCompass
  • Chemistry
CAS 14216-22-9
Also known as: 14216-22-9, N-ethylglucamine, N-ethyl-d-glucamine, (2r,3r,4r,5s)-6-(ethylamino)hexane-1,2,3,4,5-pentaol, N-ethyl glucamine, 1-deoxy-1-(ethylamino)-d-glucitol
Molecular Formula
C8H19NO5
Molecular Weight
209.242  g/mol
InChI Key
IKXCHOUDIPZROZ-LXGUWJNJSA-N
FDA UNII
K94D9J0608

1 2D Structure

CAS 14216-22-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol
2.1.2 InChI
InChI=1S/C8H19NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h5-14H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
2.1.3 InChI Key
IKXCHOUDIPZROZ-LXGUWJNJSA-N
2.1.4 Canonical SMILES
CCNCC(C(C(C(CO)O)O)O)O
2.1.5 Isomeric SMILES
CCNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
2.2 Other Identifiers
2.2.1 UNII
K94D9J0608
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 14216-22-9

2. N-ethylglucamine

3. N-ethyl-d-glucamine

4. (2r,3r,4r,5s)-6-(ethylamino)hexane-1,2,3,4,5-pentaol

5. N-ethyl Glucamine

6. 1-deoxy-1-(ethylamino)-d-glucitol

7. N-ethylglcae

8. D-glucitol, 1-deoxy-1-(ethylamino)-

9. Ak-59369

10. (2r,3r,4r,5s)-6-(ethylamino)hexane-1,2,3,4,5-pentol

11. Einecs 238-073-8

12. Ethylglucamine

13. N-ethylgucamine

14. Unii-k94d9j0608

15. D-(-)-n-ethylglucamine

16. Ac1q59oy

17. Ksc914o4j

18. Schembl123685

19. Ac1l374j

20. Jsp002482

21. Ctk8b4744

22. Ks-00000iux

23. Dtxsid30161956

24. Ikxchoudipzroz-lxguwjnjsa-n

25. Molport-003-925-273

26. Ebd21778

27. N-ethyl-d-glucamine, >=98.0%

28. Zinc2511432

29. Anw-46024

30. Mfcd03789564

31. Akos015915241

32. Api0003545

33. K94d9j0608

34. Mb02965

35. N-ethyl-d-glucamine , 98% 100g

36. Ac-17086

37. Aj-36549

38. Bc211217

39. Ca001370

40. Ds-16295

41. Sc-15885

42. Ab1004791

43. Ax8018297

44. Kb-204109

45. Rt-000141

46. Tl8006153

47. Am20080320

48. E0923

49. Ft-0637035

50. St24026155

51. St51055395

52. C-28036

53. I14-6325

54. Q-201461

55. (2r,3r,4r,5s)-6-(ethylamino)-hexane-1,2,3,4,5-pentaol

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 209.242 g/mol
Molecular Formula C8H19NO5
XLogP3-2.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass209.126 g/mol
Monoisotopic Mass209.126 g/mol
Topological Polar Surface Area113 A^2
Heavy Atom Count14
Formal Charge0
Complexity146
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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