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85642-08-6 | Mono-iodo amiodarone
CAS No: 85642-08-6 Catalog No: AG00G5AH MDL No:
Product Description
Catalog Number:
AG00G5AH
Chemical Name:
Mono-iodo amiodarone
CAS Number:
85642-08-6
IUPAC Name:
(2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3-iodophenyl]methanone
InChI:
InChI=1S/C25H30INO3/c1-4-7-11-23-24(19-10-8-9-12-21(19)30-23)25(28)18-13-14-22(20(26)17-18)29-16-15-27(5-2)6-3/h8-10,12-14,17H,4-7,11,15-16H2,1-3H3
InChI Key:
DKWLFFXBYKTKRM-UHFFFAOYSA-N
UNII:
WC6I46P5XX
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.127g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
519.423g/mol
Monoisotopic Mass:
519.127g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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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