Azimilide Dihydrochloride

CAT: 0931-T7505-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T7505-01Size:2 mg

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CAS Number

149888-94-8

Target

Potassium Channel

Related Pathways

Membrane transporter/Ion channel

Purity

0.98

Bioactivity

Azimilide Dihydrochloride (NE-10064 Dihydrochloride), a novel class III antiarrhythmic agent, blocks both the slowly activating (IKs) and rapidly activating (IKr) components of the delayed rectifier potassium current

Smiles

Cl.Cl.CN1CCN(CCCCN2C(=O)CN(\N=C\c3ccc(o3)-c3ccc(Cl)cc3)C2=O)CC1

Molecular Formula

C23H30Cl3N5O3

Molecular Weight

530.88

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Azimilide Dihydrochloride

See also: Azimilide (has active moiety).

CAS Number	149888-94-8
PubChem CID	9571003
IUPAC Name	1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione;dihydrochloride
Molecular Formula	C23H30Cl3N5O3
Molecular Weight	530.9
Topological Polar Surface Area	72.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	34
Formal Charge	0
Complexity	677

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

CAS: 149888-94-8

CID: 9571003

Formula: C23H30Cl3N5O3

MW: 530.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	530.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	529.141423
Monoisotopic Mass	529.141423
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	677
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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GTR19166538-01	Azimilide Dihydrochloride
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Azimilide Dihydrochloride

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