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2D Structure
Also known as: 1951-26-4, 2-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran, (2-butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone, L-3373, 3-(4-hydroxy-3,5-diiodo)-benzoyl-2-butyl benzofuran, Einecs 217-773-7
Molecular Formula
C19H16I2O3
Molecular Weight
546.1  g/mol
InChI Key
PNFMEGSMKIHDFZ-UHFFFAOYSA-N
FDA UNII
D8YC83C05N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone
2.1.2 InChI
InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3
2.1.3 InChI Key
PNFMEGSMKIHDFZ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I
2.2 Other Identifiers
2.2.1 UNII
D8YC83C05N
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1951-26-4

2. 2-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran

3. (2-butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone

4. L-3373

5. 3-(4-hydroxy-3,5-diiodo)-benzoyl-2-butyl Benzofuran

6. Einecs 217-773-7

7. 2-n-butyl-3-(3,5-diiodo-4-hydroxy Benzoyl) Benzofuran

8. D8yc83c05n

9. Chebi:79661

10. L 3373

11. (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone

12. Methanone, (2-butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-

13. Nsc85437

14. Nsc-85437

15. S-1086

16. 2-butyl-3-[3,5-diiodo-4-hydroxybenzoyl]benzofuran

17. 2-butyl-3-(4-hydroxy3,5-diiodobenyl)-benzofuran

18. Unii-d8yc83c05n

19. (2-butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone

20. Amiodarone Impurity D

21. (2-butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) Ketone

22. Amiodarone Related Compound 2

23. Schembl6335384

24. Amiodarone Metabolite M3

25. Chembl3526986

26. Bdbm18962

27. Amy3318

28. Dtxsid20173164

29. Usp Amiodarone Related Compound D

30. Zinc3981799

31. Amiodarone Related Compound B

32. (2-butyl-benzofuran-3-yl)-(4-hydroxy-3,5-diiodo-phenyl)-methanone

33. Mfcd02675787

34. Nsc 85437

35. Akos015889739

36. Ac-13412

37. As-12154

38. Db-020748

39. Ft-0633932

40. L3373

41. O-dealkylated Metabolite Of Amiodarone

42. S 1086

43. 951b264

44. A813783

45. 2-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofurane

46. 2-butyl-3-(4-hydroxy-3,5-diiodobenzoyl)benzofuran

47. W-107694

48. 2-n-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran

49. Q27148784

50. Amiodarone Hydrochloride Impurity D [ep Impurity]

51. 2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzo-furan

52. 4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenol

53. (2-butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone

54. Ketone, 2-butyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 546.1 g/mol
Molecular Formula C19H16I2O3
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass545.91889 g/mol
Monoisotopic Mass545.91889 g/mol
Topological Polar Surface Area50.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1