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Dofetilide D4

CAT: 0931-T11072-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T11072-02Size:5 mg
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CAS Number
1189700-56-8
Target
Potassium Channel
Related Pathways
Membrane transporter/Ion channel
Bioactivity
Dofetilide D4 (UK 68789 D4), a deuterium-labeled version of Dofetilide, is categorized as a Class III antiarrhythmic medication.
Smiles
[2H]C([2H])(Oc1ccc(NS(C)(=O)=O)cc1)C([2H])([2H])N(C)CCc1ccc(NS(C)(=O)=O)cc1
Molecular Formula
C19H27N3O5S2
Molecular Weight
445.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dofetilide-d4
CAS Number1189700-56-8
PubChem CID45039110
IUPAC NameN-[4-[2-[methyl-[1,1,2,2-tetradeuterio-2-[4-(methanesulfonamido)phenoxy]ethyl]amino]ethyl]phenyl]methanesulfonamide
Molecular FormulaC19H27N3O5S2
Molecular Weight445.6
XLogP1.8
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity672
SMILES
[2H]C([2H])(C([2H])([2H])OC1=CC=C(C=C1)NS(=O)(=O)C)N(C)CCC2=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/i14D2,15D2
InChIKey
IXTMWRCNAAVVAI-QZPARXMSSA-N
Chemical Structure
2D Structure
2D structure of Dofetilide-d4
CAS: 1189700-56-8
CID: 45039110
Formula: C19H27N3O5S2
MW: 445.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.6
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass445.16432030
Monoisotopic Mass445.16432030
Topological Polar Surface Area122 Ų
Heavy Atom Count29
Formal Charge0
Complexity672
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
A8417-5.1Dofetilide

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