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23551-25-9

23551-25-9 | Bis Des-iodo amiodarone HCl(Amiodarone impurity)

CAS No: 23551-25-9 Catalog No: AG00C2WJ MDL No:

Product Description

Catalog Number:
AG00C2WJ
Chemical Name:
Bis Des-iodo amiodarone HCl(Amiodarone impurity)
CAS Number:
23551-25-9
IUPAC Name:
(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]phenyl]methanone
InChI:
InChI=1S/C25H31NO3/c1-4-7-11-23-24(21-10-8-9-12-22(21)29-23)25(27)19-13-15-20(16-14-19)28-18-17-26(5-2)6-3/h8-10,12-16H,4-7,11,17-18H2,1-3H3
InChI Key:
PNZXBMCTFUFPLR-UHFFFAOYSA-N
UNII:
3ANM294M1O

Properties

Complexity:
485  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.23g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.527g/mol
Monoisotopic Mass:
393.23g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  

Literature

Title Journal
Amiodarone and its putative metabolites fail to activate wild type hTAAR1. Bioorganic & medicinal chemistry letters 20091015
Trace amine-associated receptor 1 (TAAR1) is activated by amiodarone metabolites. Bioorganic & medicinal chemistry letters 20081115

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