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Home Other Building Blocks Thonzonium bromide

Thonzonium bromide

CAS No.:
553-08-2
Catalog Number:
AG00DB9C
Molecular Formula:
C32H55BrN4O
Molecular Weight:
591.7093
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
99%
1 week
United States
$140
- +
50mg
99%
1 week
United States
$362
- +
Product Description
Catalog Number:
AG00DB9C
Chemical Name:
Thonzonium bromide
CAS Number:
553-08-2
Molecular Formula:
C32H55BrN4O
Molecular Weight:
591.7093
MDL Number:
MFCD00133855
IUPAC Name:
hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium;bromide
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
SMILES:
CCCCCCCCCCCCCCCC[N+](CCN(c1ncccn1)Cc1ccc(cc1)OC)(C)C.[Br-]
EC Number:
209-032-1
UNII:
JI2B19CR0R
Properties
Complexity:
515  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
590.356g/mol
Formal Charge:
0
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
591.723g/mol
Monoisotopic Mass:
590.356g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Why are most phospholipidosis inducers also hERG blockers? Archives of toxicology 20171201
Thonzonium bromide inhibits RANKL-induced osteoclast formation and bone resorption in vitro and prevents LPS-induced bone loss in vivo. Biochemical pharmacology 20160315
Identification of clinically used drugs that activate pregnane X receptors. Drug metabolism and disposition: the biological fate of chemicals 20110101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Assay principle for modulators of protein-protein interactions and its application to non-ATP-competitive ligands targeting protein kinase A. Analytical chemistry 20061215
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties