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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

CAS 1951-26-4
1 2D Structure

CAS 1951-26-4

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

BUILDING BLOCK

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