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882-35-9 | Pyridinium,1,1'-(1,2-ethanediyl)bis-, bromide (1:2)
CAS No: 882-35-9 Catalog No: AG004AWM MDL No:MFCD00032031
Product Description
Catalog Number:
AG004AWM
Chemical Name:
Pyridinium,1,1'-(1,2-ethanediyl)bis-, bromide (1:2)
CAS Number:
882-35-9
Molecular Formula:
C12H14Br2N2
Molecular Weight:
346.0610
MDL Number:
MFCD00032031
IUPAC Name:
1-(2-pyridin-1-ium-1-ylethyl)pyridin-1-ium;dibromide
InChI:
InChI=1S/C12H14N2.2BrH/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;;/h1-10H,11-12H2;2*1H/q+2;;/p-2
InChI Key:
DMEHMWWKTXHHMO-UHFFFAOYSA-L
SMILES:
c1cc[n+](cc1)CC[n+]1ccccc1.[Br-].[Br-]
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.95g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.066g/mol
Monoisotopic Mass:
343.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
7.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Preparation and in vitro screening of symmetrical bispyridinium cholinesterase inhibitors bearing different connecting linkage-initial study for Myasthenia gravis implications. | Bioorganic & medicinal chemistry letters 20100301 |
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