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Dofetilide

CAT: 1299-RM-D150600-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D150600-01Size:10 mg
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CAS Number
115256-11-6
Synonyms
N- (4- (2- (methyl (2- (4- (methylsulfonamido) phenoxy) ethyl) amino) ethyl) phenyl) methanesulfonamide
Molecular Formula
C19H27N3O5S2
Molecular Weight
441.56
Target Alternative Name
Dofetilide
Product Name Synonym
N- (4- (2- (methyl (2- (4- (methylsulfonamido) phenoxy) ethyl) amino) ethyl) phenyl) methanesulfonamide

Chemical Information

Dofetilide

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.

CAS Number115256-11-6
PubChem CID71329
IUPAC NameN-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
Molecular FormulaC19H27N3O5S2
Molecular Weight441.6
XLogP1.8
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity672
SMILES
CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C
InChI
InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3
InChIKey
IXTMWRCNAAVVAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dofetilide
CAS: 115256-11-6
CID: 71329
Formula: C19H27N3O5S2
MW: 441.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.6
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass441.13921332
Monoisotopic Mass441.13921332
Topological Polar Surface Area122 Ų
Heavy Atom Count29
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T6476-01Dofetilide

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