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Azimilide dihydrochloride

CAT: 1410-M12083-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A class ΙΙΙ antiarrhythmic agent that blocks hERG channel; blocks HERG channel at 0.1 and 1 Hz with IC50s of 1.4 uM and 5.2 uM respectively.
CAS Number
149888-94-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
530.875
Molecular Formula
C23H30Cl3N5O3
Notes
Research use only, not for human use.
Receptor
Potassium Channel

Chemical Information

Azimilide Dihydrochloride

See also: Azimilide (has active moiety).

CAS Number149888-94-8
PubChem CID9571003
IUPAC Name1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione;dihydrochloride
Molecular FormulaC23H30Cl3N5O3
Molecular Weight530.9
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity677
SMILES
CN1CCN(CC1)CCCCN2C(=O)CN(C2=O)/N=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl.Cl.Cl
InChI
InChI=1S/C23H28ClN5O3.2ClH/c1-26-12-14-27(15-13-26)10-2-3-11-28-22(30)17-29(23(28)31)25-16-20-8-9-21(32-20)18-4-6-19(24)7-5-18;;/h4-9,16H,2-3,10-15,17H2,1H3;2*1H/b25-16+;;
InChIKey
HHPSICLSNHCSNZ-BYEGLACWSA-N
Chemical Structure
2D Structure
2D structure of Azimilide Dihydrochloride
CAS: 149888-94-8
CID: 9571003
Formula: C23H30Cl3N5O3
MW: 530.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass529.141423
Monoisotopic Mass529.141423
Topological Polar Surface Area72.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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