CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Boiling Point | 100 |
| Melting Point | 156 |
| Solubility | Low |
| LogP | 7.2 |
| Ionization Efficiency | Positive |
| Dissociation Constants | 9.06 |
| Collision Cross Section | 226.4 Ų [M+H]+ [CCS Type: TW, Method: Major Mix IMS/Tof Calibration Kit (Waters)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 645.3 g/mol |
|---|---|
| XLogP3 | 7.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 645.02369 g/mol |
| Monoisotopic Mass | 645.02369 g/mol |
| Topological Polar Surface Area | 42.7 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 547 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Amiodarone is a member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. It has a role as a cardiovascular drug. It is a member of 1-benzofurans, an organoiodine compound, an aromatic ketone and a tertiary amino compound.