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Haloxon

CAS No.:
321-55-1
Catalog Number:
AG00BXNK
Molecular Formula:
C14H14Cl3O6P
Molecular Weight:
415.5901
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$612
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Product Description
Catalog Number:
AG00BXNK
Chemical Name:
Haloxon
CAS Number:
321-55-1
Molecular Formula:
C14H14Cl3O6P
Molecular Weight:
415.5901
MDL Number:
MFCD00010716
IUPAC Name:
bis(2-chloroethyl) (3-chloro-4-methyl-2-oxochromen-7-yl) phosphate
InChI:
InChI=1S/C14H14Cl3O6P/c1-9-11-3-2-10(8-12(11)22-14(18)13(9)17)23-24(19,20-6-4-15)21-7-5-16/h2-3,8H,4-7H2,1H3
InChI Key:
KULDXINYXFTXMO-UHFFFAOYSA-N
SMILES:
ClCCOP(=O)(Oc1ccc2c(c1)oc(=O)c(c2C)Cl)OCCCl
EC Number:
206-289-1
UNII:
T8KXA37068
Properties
Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.959g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.584g/mol
Monoisotopic Mass:
413.959g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Structure-inhibition relationships in the interaction of butyrylcholinesterase with bambuterol, haloxon and their leaving groups. Chemico-biological interactions 20051215
Peripheral site ligands accelerate inhibition of acetylcholinesterase by neutral organophosphates. Journal of applied toxicology : JAT 20011201
The influence of peripheral site ligands on the reaction of symmetric and chiral organophosphates with wildtype and mutant acetylcholinesterases. Chemico-biological interactions 19990514
Properties