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CAS 105355-26-8
PharmaCompass
CAS 105355-26-8
Also known as: 105355-26-8, Pioglitazone 2-imine, 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone, 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidinone, Pioglitazone imino impurity, 2-amino-5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-4(5h)-thiazolone
Molecular Formula
C19H21N3O2S
Molecular Weight
355.456  g/mol
InChI Key
ABGJULHDDNEULW-UHFFFAOYSA-N

1 2D Structure

CAS 105355-26-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazol-4-one
2.1.2 InChI
InChI=1S/C19H21N3O2S/c1-2-13-3-6-15(21-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(23)22-19(20)25-17/h3-8,12,17H,2,9-11H2,1H3,(H2,20,22,23)
2.1.3 InChI Key
ABGJULHDDNEULW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)N=C(S3)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 105355-26-8

2. Pioglitazone 2-imine

3. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-2-imino-4-thiazolidinone

4. 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidinone

5. Pioglitazone Imino Impurity

6. 2-amino-5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-4(5h)-thiazolone

7. 2-amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl}-thiazol-4-one

8. 2-amino-5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-4(5h)-thiazolone

9. 5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl)-2-iminothiazolidin-4-one

10. 2-amino-5-(4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl)-4(5h)-thiazolone

11. 2-amino-5-(4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl)-thiazol-4-one

12. 2-amino-5-[4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl]-thiazol-4-one

13. 5-(4-(2-(5-ethyl-2-pyridyl)ethoxy)benzyl)-2-imino-4-thiazolidinone

14. 5-[4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl]-2-iminothiazolidin-4-one

15. 5-{4-[5-(ethylpyridin-2-yl)ethoxy]benzyl}-2-iminothiazolidin-4-one

16. 2-amino-5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-5h-1,3-thiazol-4-one

17. 5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-2-imino-1,3-thiazolidin-4-one

18. 5-(4-[5-(ethylpyridin-2-yl)ethoxy]benzyl)-2-iminothiazolidin-4-one

19. 5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methyl]-2-imino-1,3-thiazolidin-4-one

20. Schembl2944577

21. Jsp000506

22. Ctk8b7923

23. Ctk8g5036

24. Dtxsid00465271

25. Molport-005-934-881

26. Act04247

27. (5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidone)

28. 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2-amino-4-thiazolidinone

29. Anw-58950

30. Mfcd07368627

31. Akos015900316

32. Akos015950820

33. Ac-3452

34. Acn-051104

35. An-6393

36. Cc-08919

37. H336

38. Kb-40794

39. Sc-19133

40. Ab1004598

41. Db-020456

42. Kb-196517

43. Rt-007351

44. Bg01335546

45. Ft-0642588

46. St24039935

47. St51053959

48. 355a268

49. 355e268

50. C-20757

51. I14-0807

52. Q-102820

53. 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-

54. 2-amino-5-(4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl)thiazol-4-one

55. 5-{4-2-(5-ethyl-2-pyridyl)ethoxybenzyl}-2-imino-4-thiazolidinone

56. 2-amino-5-[[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]methyl]thiazol-4-one

57. 2-amino-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy] Benzyl}thiazol-4-one

58. 5-(4-(2-(5ethylpyridin-2-yl)ethoxy)benzyl)-2-iminothiazolidin-4-one

59. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl]-2-iminothiazolidine-4-one

60. 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2- Imino-4-thiazolidinone

61. 5-{4-[2-(5-ethyl-2-pyridyl)ethoxyl]benzyl}-2-imino-4-thiazolidinone

62. 2-amino-5-({4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazol-4(5h)-one

63. 2-amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5h)-thiazolone

64. 2-amino-5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzyl-thiazol-4-one

65. 2-imino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5h)-thiazolone

66. 5-(4-[2-(ethylpyridin-2-yl)ethoxy]benzyl)-2-iminothiazolidin-4-one

67. 5-[4-(2-(5-ethylpyridin-2-yl)ethoxy)benzyl]-2-imino-1,3-thiazolidin-4-one

68. 5-{4-[2-(5-ethyl-2-pyridyl)ethoxy]benzyl}-2-imino-4-thiazolidinone; 2-amino-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-4(5h)-thiazolone

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 355.456 g/mol
Molecular Formula C19H21N3O2S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass355.135 g/mol
Monoisotopic Mass355.135 g/mol
Topological Polar Surface Area103 A^2
Heavy Atom Count25
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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