Thonzonium bromide
Catalog Number
ACM553082-1
CAS
553-08-2
IUPAC Name
Hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium;bromide
Synonyms
N-Hexadecyl-N-(2-(N-4-methoxybenzylpyrimidin-2-ylamino)ethyl)dimethylammonium bromide
Molecular Weight
591.7
Molecular Formula
C32H55N4OBr
Product Information
Description
Thonzonium bromide is an antibacterial agent that is structurally similar to Farnesol (HY-Y0248A). Thonzonium bromide is also a monocationic surface-active agent, which inhibits RANKL-induced osteoclast formation and bone resorption in vitro and prevents LPS-induced bone loss in vivo. Thonzonium bromide inhibits proton transport in a dose-dependent manner (EC50=69 μM).
Canonical SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2.[Br-]
InChI
InChI=1S/C32H55N4O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30;/h19-25H,5-18,26-29H2,1-4H3;1H/q+1;/p-1
InChI Key
WBWDWFZTSDZAIG-UHFFFAOYSA-M
Melting Point
91-92 °C
Purity
99%+
Appearance
White to off-white solid
Storage
Inert atmosphere,Room Temperature
Complexity
515
Covalently-Bonded Unit Count
2
Exact Mass
590.35592
Heavy Atom Count
38
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
0
MDL Number
MFCD00133855
Monoisotopic Mass
590.35592
Rotatable Bond Count
22
Topological Polar Surface Area
38.2 Ų
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