Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 7681-78-9, Mebenzonium iodide, 7gvf119em8, Trimethyl-[4-[[4-(trimethylazaniumyl)cyclohexyl]methyl]cyclohexyl]azanium;diiodide, (methylenedi-1,4-cyclohexylene)bis(trimethylammonium iodide), Mebezonio ioduro
Molecular Formula
C19H40I2N2
Molecular Weight
550.3  g/mol
InChI Key
CWPAAKNARYMZLM-UHFFFAOYSA-L
FDA UNII
7GVF119EM8

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
trimethyl-[4-[[4-(trimethylazaniumyl)cyclohexyl]methyl]cyclohexyl]azanium;diiodide
2.1.2 InChI
InChI=1S/C19H40N2.2HI/c1-20(2,3)18-11-7-16(8-12-18)15-17-9-13-19(14-10-17)21(4,5)6;;/h16-19H,7-15H2,1-6H3;2*1H/q+2;;/p-2
2.1.3 InChI Key
CWPAAKNARYMZLM-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C[N+](C)(C)C1CCC(CC1)CC2CCC(CC2)[N+](C)(C)C.[I-].[I-]
2.2 Other Identifiers
2.2.1 UNII
7GVF119EM8
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 4,4'-methylenebis(cyclohexyltrimethyl)ammonium

2. Mebezonium

2.3.2 Depositor-Supplied Synonyms

1. 7681-78-9

2. Mebenzonium Iodide

3. 7gvf119em8

4. Trimethyl-[4-[[4-(trimethylazaniumyl)cyclohexyl]methyl]cyclohexyl]azanium;diiodide

5. (methylenedi-1,4-cyclohexylene)bis(trimethylammonium Iodide)

6. Mebezonio Ioduro

7. Mebezonio Ioduro [dcit]

8. Mebezonii Iodidum

9. Ioduro De Mebezonio

10. Iodure De Mebezonium

11. Mebezonium Iodide [inn:ban]

12. Mebezonii Iodidum [inn-latin]

13. Iodure De Mebezonium [inn-french]

14. Ioduro De Mebezonio [inn-spanish]

15. Einecs 231-676-7

16. Unii-7gvf119em8

17. Schembl292903

18. Mebezonium Iodide [inn]

19. Chembl2106967

20. Dtxsid20998132

21. Mebezonium Iodide [green Book]

22. Ft-0628181

23. Mebezonium Iodide 100 Microg/ml In Acetonitrile

24. Q27268266

25. 4,4'-methylenebis(n,n,n-trimethylcyclohexan-1-aminium) Diiodide

26. Cyclohexanaminium, 4,4'-methylenebis(n,n,n-trimethyl-, Iodide (1:2)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 550.3 g/mol
Molecular Formula C19H40I2N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass550.12809 g/mol
Monoisotopic Mass550.12809 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count23
Formal Charge0
Complexity275
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3