115256-11-6
Product Name:
Dofetilide
Formula:
C19H27N3O5S2
Synonyms:
N-[4-[2-[Methyl[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide;UK-68798
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White to off-white powder |
| Melting Point | 147-149 °C ... from hexane/ethyl acetate, mp 151-152 °C ... also reported as white crystalline solid, mp 161 °C |
| Solubility | Soluble in 0.1M NaOH, acetone, 0.1M HCl; very slightly soluble in propan-2-ol |
| LogP | 2.1 |
| Decomposition | When heated to decomposition, material emits toxic fumes. |
| Dissociation Constants | pKa: 7.0; 9.0; 9.6 |
| Other Experimental Properties | Distribution coefficient (pH 7.4): 0.96 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H360:Reproductive toxicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 441.6 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 441.13921332 g/mol |
| Monoisotopic Mass | 441.13921332 g/mol |
| Topological Polar Surface Area | 122 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 672 |
| 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
Dofetilide is a tertiary amino compound that is N-ethyl-N-methylethanamine substituted by a 4-[(methylsulfonyl)amino]phenoxy and a 4-[(methylsulfonyl)amino]phenyl group at the terminal carbon atoms respectively. It is used as an anti-arrhythmia drug. It has a role as an anti-arrhythmia drug and a potassium channel blocker. It is a sulfonamide, an aromatic ether and a tertiary amino compound.