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201849-42-5 | Pyrrolidinium, 1,1'-(1,16-hexadecanediyl)bis[1-methyl-, dibromide (9CI)
CAS No: 201849-42-5 Catalog No: AG0027VQ MDL No:
Product Description
Catalog Number:
AG0027VQ
Chemical Name:
Pyrrolidinium, 1,1'-(1,16-hexadecanediyl)bis[1-methyl-, dibromide (9CI)
CAS Number:
201849-42-5
Molecular Formula:
C26H54Br2N2
Molecular Weight:
554.5284
IUPAC Name:
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium;dibromide
InChI:
InChI=1S/C26H54N2.2BrH/c1-27(23-17-18-24-27)21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-28(2)25-19-20-26-28;;/h3-26H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
REEOVGYMIOKMOS-UHFFFAOYSA-L
SMILES:
C[N+]1(CCCCCCCCCCCCCCCC[N+]2(C)CCCC2)CCCC1.[Br-].[Br-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.263g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.54g/mol
Monoisotopic Mass:
552.265g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Mono- and bis-thiazolium salts have potent antimalarial activity. | Journal of medicinal chemistry 20050519 |
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