| CAS Number | 757220-04-5 |
| Catalog Number | AG00G53K(AGN-PC-0U816P) |
| Chemical Name | Di(N-desethyl) Amiodarone Hydrochloride |
| IUPAC Name | [4-(2-aminoethoxy)-3,5-diiodophenyl]-(2-butyl-1-benzofuran-3-yl)methanone;hydrochloride |
| InChI | InChI=1S/C21H21I2NO3.ClH/c1-2-3-7-18-19(14-6-4-5-8-17(14)27-18)20(25)13-11-15(22)21(16(23)12-13)26-10-9-24;/h4-6,8,11-12H,2-3,7,9-10,24H2,1H3;1H |
| InChI Key | FTCJJBHXLGQNMI-UHFFFAOYSA-N |
| MDL Number | MFCD24682756 |
| Molecular Formula | C21H22ClI2NO3 |
| Molecular Weight | 625.6662 |
| SMILES | Cl.CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN)c(I)c3 |
| Synonyms | 757220-04-5,
Di(N-desethyl) Amiodarone Hydrochloride,
(4-(2-Aminoethoxy)-3,5-diiodophenyl)(2-butyl-benzofuran-3-yl)methanone hydrochloride,
L 33530,
DTXSID50747615,
Di(N-desethyl)amiodarone hydrochloride,
LB 32922,
FT-0666682,
(4-(2-aminoethoxy)-3,5-diiodophenyl)(2-butylbenzofuran-3-yl)methanone hydrochloride,
[4-(2-Aminoethoxy)-3,5-diiodophenyl](2-butyl-3-benzofuranyl)methanone Hydrochloride,
[4-(2-Aminoethoxy)-3,5-diiodophenyl](2-butyl-1-benzofuran-3-yl)methanone--hydrogen chloride (1/1),
FTCJJBHXLGQNMI-UHFFFAOYSA-N,
|
| Complexity | 480 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 624.938g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 625.67g/mol |
| Monoisotopic Mass | 624.938g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number