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Hexafluorenium

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ACTIVE PHARMA INGREDIENTS

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1 FDF Dossiers, 1 FDA Orange Book

1 FDF Dossiers
1 FDA Orange Book

Synopsis

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Chemistry

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Also known as: Hexafluronium bromide, Mylaxen, 317-52-2, Hexafluorenium dibromide, Hexafluroniumbromide, Nsc-19477

Molecular Formula

C₃₆H₄₂Br₂N₂

Molecular Weight

662.5 g/mol

InChI Key

WDEFPRUEZRUYNW-UHFFFAOYSA-L

FDA UNII

B64NJG83K2

1 2D Structure

Hexafluorenium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

9H-fluoren-9-yl-[6-[9H-fluoren-9-yl(dimethyl)azaniumyl]hexyl]-dimethylazanium;dibromide

2.1.2 InChI

InChI=1S/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2

2.1.3 InChI Key

WDEFPRUEZRUYNW-UHFFFAOYSA-L

2.1.4 Canonical SMILES

C[N+](C)(CCCCCC[N+](C)(C)C1C2=CC=CC=C2C3=CC=CC=C13)C4C5=CC=CC=C5C6=CC=CC=C46.[Br-].[Br-]

2.2 Other Identifiers

2.2.1 UNII

B64NJG83K2

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Hexafluorenium

2. Hexafluorenium Dibromide Salt

3. Hexafluronium Bromide

4. Hexamethylenebis(fluoren-9-yldimethylammonium) Dibromide

5. Mylaxen

2.3.2 Depositor-Supplied Synonyms

1. Hexafluronium Bromide

2. Mylaxen

3. 317-52-2

4. Hexafluorenium Dibromide

5. Hexafluroniumbromide

6. Nsc-19477

7. Hexafluorenium Bromide [usan]

8. Milaxen

9. Hexamethylenebis(fluoren-9-yldimethylammonium) Dibromide

10. Hexaflurone Bromide

11. Hexafluorenium (dibromide)

12. Hexafluronium Bromide (inn)

13. Hexafluronium Bromide [inn]

14. Hexafluorenium Bromide (usan)

15. B64njg83k2

16. 1,6-bis(9 Fluorenyldimethyl-ammonium)hexane Bromide

17. Hexamethylenebis(dimethyl-9-fluorenylammonium Bromide)

18. 1,6-hexanediaminium, N,n'-di-9h-fluoren-9-yl-n,n,n',n'-tetramethyl-, Dibromide

19. Hexamethylene Bis(9-fluorenyldimethylammonium)dibromide

20. Esafluronio Bromuro

21. Hexafluronii Bromidum

22. Esafluronio Bromuro [dcit]

23. Bromure D'hexafluronium

24. Bromuro De Hexafluronio

25. Hexafluronii Bromidum [inn-latin]

26. In-117

27. Bromure D'hexafluronium [inn-french]

28. Mylaxen (tn)

29. Bromuro De Hexafluronio [inn-spanish]

30. Ncgc00182971-01

31. Einecs 206-265-0

32. Hexamethylenebis(9-fluorenyldimethylammonium Bromide)

33. Unii-b64njg83k2

34. Ammonium, Hexamethylenebis(fluoren-9-yldimethyl-, Bromide

35. Hexafluorenium Bromide [usan:usp]

36. N,n'-di(9-fluorenyl)-n,n,n',n'-tetramethyly-hexamethylendi(ammoniumbromid)

37. Ammonium, Hexamethylenebis(fluoren-9-yldimethyl-, Dibromide

38. Dsstox_cid_28679

39. Dsstox_rid_82949

40. Dsstox_gsid_48753

41. Schembl120924

42. Chembl1200933

43. Dtxsid6048753

44. Hexafluorenium Bromide [mi]

45. Tox21_113214

46. Bdbm50016845

47. Mfcd00867695

48. Hexafluorenium Bromide [vandf]

49. Hexafluronium Bromide [mart.]

50. Akos030228688

51. Hexafluronium Bromide [who-dd]

52. As-57449

53. Cas-317-52-2

54. Hy-16252

55. Hexafluorenium Bromide [orange Book]

56. Cs-0006265

57. D04435

58. 1,6-hexanediaminium, N1,n6-di-9h-fluoren-9-yl-n1,n1,n6,n6-tetramethyl-, Bromide (1:2)

59. N-{6-[(9h-fluoren-9-yl)dimethylazaniumyl]hexyl}-n,n-dimethyl-9h-fluoren-9-aminium Dibromide

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₄₂Br₂N₂
Molecular Weight	662.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	662.16943 g/mol
Monoisotopic Mass	660.17147 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	663
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Nicotinic Antagonists

Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses. (See all compounds classified as Nicotinic Antagonists.)

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