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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

Hexafluorenium
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 Weight 662.5 g/mol
Molecular Formula C36H42Br2N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass662.16943 g/mol
Monoisotopic Mass660.17147 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count40
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
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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