| CAS Number | 1087223-70-8 |
| Catalog Number | AG008W24(AGN-PC-0WA3CG) |
| Chemical Name | (4-(2-(Diethylamino)ethoxy)-3,5-diiodophenyl)(2-(1-methoxybutyl)benzofuran-3-yl)methanone |
| IUPAC Name | [4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]-[2-(1-methoxybutyl)-1-benzofuran-3-yl]methanone |
| InChI | InChI=1S/C26H31I2NO4/c1-5-10-22(31-4)26-23(18-11-8-9-12-21(18)33-26)24(30)17-15-19(27)25(20(28)16-17)32-14-13-29(6-2)7-3/h8-9,11-12,15-16,22H,5-7,10,13-14H2,1-4H3 |
| InChI Key | QDIGHYCNRQYPFR-UHFFFAOYSA-N |
| MDL Number | MFCD21363410 |
| Molecular Formula | C26H31I2NO4 |
| Molecular Weight | 675.3376 |
| SMILES | CCCC(OC)c1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3 |
| Synonyms | 1087223-70-8,
1-Methoxy Amiodarone,
(4-(2-(Diethylamino)ethoxy)-3,5-diiodophenyl)-(2-(1-methoxybutyl)benzofuran-3-yl)methanone,
(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)(2-(1-methoxybutyl)benzofuran-3-yl)methanone,
(2-((1RS)-1-Methoxybutyl)benzofuran-3-yl)(4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl)methanone,
Amiodarone related compound F,
[2-[(1RS)-1-Methoxybutyl]benzofuran-3-yl][4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone,
Amiodarone hydrochloride impurity G [EP],
(+/-)-(4-(2-(Diethylamino)ethoxy)-3,5-diiodophenyl)(2-(1-methoxybutyl)benzofuran-3-yl)methanone,
(4-(2-(Diethylamino)ethoxy)-3,5-diiodophenyl)(2-((1RS)-1-methoxybutyl)benzofuran-3-yl)methanone,
FT-0671152,
[4-[2-(Diethylamino)ethoxy]-3,5-diiodophenyl][2-(1-methoxybutyl)-3-benzofuranyl]methanone,
UNII-9R0XOA5268,
9R0XOA5268,
|
| Complexity | 593 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 675.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 675.346g/mol |
| Monoisotopic Mass | 675.034g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 51.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number