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88210-25-7 | Quinolinium, 1,1'-[1,4-phenylenebis(methylene)]bis-, dibromide
CAS No: 88210-25-7 Catalog No: AG004BMF MDL No:
Product Description
Catalog Number:
AG004BMF
Chemical Name:
Quinolinium, 1,1'-[1,4-phenylenebis(methylene)]bis-, dibromide
CAS Number:
88210-25-7
Molecular Formula:
C26H22Br2N2
Molecular Weight:
522.2743
IUPAC Name:
1-[[4-(quinolin-1-ium-1-ylmethyl)phenyl]methyl]quinolin-1-ium;dibromide
InChI:
InChI=1S/C26H22N2.2BrH/c1-3-11-25-23(7-1)9-5-17-27(25)19-21-13-15-22(16-14-21)20-28-18-6-10-24-8-2-4-12-26(24)28;;/h1-18H,19-20H2;2*1H/q+2;;/p-2
InChI Key:
NNMAFDVENBPDEV-UHFFFAOYSA-L
SMILES:
c1ccc2c(c1)[n+](ccc2)Cc1ccc(cc1)C[n+]1cccc2c1cccc2.[Br-].[Br-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
522.013g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
522.284g/mol
Monoisotopic Mass:
520.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Preparation, in vitro screening and molecular modelling of symmetrical bis-quinolinium cholinesterase inhibitors--implications for early myasthenia gravis treatment. | Bioorganic & medicinal chemistry letters 20110415 |
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