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2D Structure
Also known as: 141625-93-6, Dronedarone hcl, N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)benzofuran-5-yl)methanesulfonamide hydrochloride, Dronedarone, hcl, Dronedarone (hydrochloride), Dronedarone hydrochloride [usan]
Molecular Formula
C31H45ClN2O5S
Molecular Weight
593.2  g/mol
InChI Key
DWKVCQXJYURSIQ-UHFFFAOYSA-N
FDA UNII
FA36DV299Q

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride
2.1.2 InChI
InChI=1S/C31H44N2O5S.ClH/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3;/h13-18,23,32H,5-12,19-22H2,1-4H3;1H
2.1.3 InChI Key
DWKVCQXJYURSIQ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl
2.2 Other Identifiers
2.2.1 UNII
FA36DV299Q
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 141625-93-6

2. Dronedarone Hcl

3. N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)benzofuran-5-yl)methanesulfonamide Hydrochloride

4. Dronedarone, Hcl

5. Dronedarone (hydrochloride)

6. Dronedarone Hydrochloride [usan]

7. Sr33598b

8. Sr33589 Hydrochloride

9. Dronedarone Hcl (multaq)

10. Fa36dv299q

11. N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride

12. Sr-33598b

13. 141625-93-6 (hcl); 141626-36-0 (free Base).

14. Methanesulfonamide, N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)-, Monohydrochloride

15. N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-benzofuran-5-yl)methanesulfonamide Hydrochloride

16. N-(2-butyl-3-(4-(3-(dibutylamino)proproxy)benzoyl)benzofuran-5-yl) Methanesulfonamide-, Monohydrochloride

17. N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide Hydrochloride

18. Smr003500707

19. Unii-fa36dv299q

20. Dronedarone Hcl

21. Mfcd00914940

22. Multaq (tn)

23. N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)-5-benzofuranyl)methanesulfonamide Monohydrochloride

24. Dronedarone Hydrocholoride

25. 4ch-007232

26. Mls004774028

27. Mls006011986

28. Schembl223035

29. Chembl1201729

30. Dronedarone Hydrochloride (usp)

31. Dronedarone Hydrochloride- Bio-x

32. Dtxsid30161779

33. Bcp22474

34. S2114

35. Dronedarone Hydrochloride [mi]

36. Akos005145691

37. Ac-5011

38. Ccg-270168

39. Cs-0712

40. Ks-1260

41. Dronedarone Hydrochloride [mart.]

42. Bd164395

43. Dronedarone Hydrochloride [usp-rs]

44. Dronedarone Hydrochloride [who-dd]

45. Hy-75839

46. N-(2-butyl-3-{4-[3-(dibutylamino)propoxy]benzoyl}-1-benzofuran-5-yl)methanesulfonamide Hydrochloride

47. Dronedarone Hydrochloride, >=98% (hplc)

48. D4689

49. Ft-0667799

50. Sw219413-1

51. D03914

52. Dronedarone Hydrochloride [ep Monograph]

53. Dronedarone Hydrochloride [orange Book]

54. Dronedarone Hydrochloride [usp Monograph]

55. A807785

56. J-007525

57. J-520429

58. Q27277877

59. Z1550675452

60. Dronedarone Hydrochloride 1.0 Mg/ml In Methanol (as Free Base)

61. Dronedarone Hydrochloride, United States Pharmacopeia (usp) Reference Standard

62. N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]benzofuran-5-yl]methanesulfonamide Hcl

63. 2-n-butyl 3-[4-(3-di-n-butylamino-propoxy)benzoyl] 5-methylsulfonamido Benzofuran Hydrochloride

64. Methanesulfonamide, N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]-, Hydrochloride (1:1)

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 593.2 g/mol
Molecular Formula C31H45ClN2O5S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count18
Exact Mass592.2737714 g/mol
Monoisotopic Mass592.2737714 g/mol
Topological Polar Surface Area97.2 Ų
Heavy Atom Count40
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2