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CAS 1951-26-4
PharmaCompass
CAS 1951-26-4
Also known as: 1951-26-4, 2-butyl-3-(3,5-diiodo-4-hydroxy benzoyl) benzofuran, Unii-d8yc83c05n, 2-butyl-3-(4-hydroxy3,5-diiodobenyl)-benzofuran, 3-(4-hydroxy-3,5-diiodo)-benzoyl-2-butyl benzofuran, D8yc83c05n
Molecular Formula
C19H16I2O3
Molecular Weight
546.143  g/mol
InChI Key
PNFMEGSMKIHDFZ-UHFFFAOYSA-N
FDA UNII
D8YC83C05N

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-hydroxy Benzoyl) Benzofuran

3. Unii-d8yc83c05n

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

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

6. D8yc83c05n

7. (2-butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)ketone

8. Chebi:79661

9. L-3373

10. Nsc85437

11. (2-butylbenzofuran-3-yl)(4-hydroxy-3,5-diiodophenyl)methanone

12. W-107694

13. (2-butyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone

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

15. 2-butyl-3-[3,5-diiodo-4-hydroxybenzoyl]benzofuran

16. C19h16i2o3

17. Einecs 217-773-7

18. Pubchem7081

19. Ac1l2mmd

20. Ac1q4peu

21. C15143

22. Amiodarone Related Compound 2

23. Schembl6335384

24. Chembl3526986

25. Bdbm18962

26. Ctk0h6799

27. Dtxsid20173164

28. Molport-003-845-490

29. Pnfmegsmkihdfz-uhfffaoysa-n

30. (2-butylbenzofuran-3-yl) (4-hydroxy-3,5-diiodophenyl) Ketone

31. Zinc3981799

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

33. Mfcd02675787

34. Nsc-85437

35. Akos015889739

36. Api0007059

37. Vz24131

38. Ac-13412

39. Ak326017

40. An-50141

41. As-12154

42. Bc206200

43. He005281

44. He161739

45. Sc-02124

46. Ab0011406

47. Db-020748

48. Kb-169171

49. Ft-0633932

50. St51051775

51. L 3373

52. 951b264

53. C-23176

54. 2-butyl-3-(4-hydroxy-3,5-diiodobenzoyl)benzofuran

55. I01-3363

56. 2-butyl-3-(3,5-diiodo-4-hydroxy Benzoyl)benzofuran

57. 2-n-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzofuran

58. 3-(4-hydroxy-3,5-diiodo)-benzoyl-2-butylbenzofuran

59. 2-butyl-3-(3,5-diiodo-4-hydroxybenzoyl)benzo[b]furane

60. 2-butyl-3-benzofuranyl3,5-diiodo-4-hydroxyphenylketone

61. 4-(2-butyl-1-benzofuran-3-carbonyl)-2,6-diiodophenol

62. 2-butyl-3-benzofuranyl 4-hydroxy-3,5-diiodophenyl Ketone

63. 2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzo-furan

64. 4-[(2-butyl-1-benzofuran-3-yl)carbonyl]-2,6-diiodophenol

65. (2-butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)methanone

66. 2-butyl-3-(3',5-diiodo-4-hydroxybenzonyl)-benzofur

67. 2-butyl-3-(3',5-diiodo-4-hydroxybenzonyl)-benzofuran

68. (2-butyl-3-benzofuranyl)(4-hydroxy-3,5-diiodophenyl)-methanone

69. (2-butylbenzofuran-3-yl)-(4-hydroxy-3,5-diiodo-phenyl)methanone

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 546.143 g/mol
Molecular Formula C19H16I2O3
XLogP36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass545.919 g/mol
Monoisotopic Mass545.919 g/mol
Topological Polar Surface Area50.4 A^2
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
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