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KR-30450

CAT: 0013-GTR19197354-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197354-01Size:25 mg
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Description
KR-30450 is a small molecule potassium channel activator with potential as an antihypertensive agent. It is utilized in cardiovascular research to study vascular relaxation mechanisms in both in vitro assays and in vivo models of hypertension.
CAS Number
172489-10-0
Field of Research
Pharmacology & Drug Discovery
Smiles
N (=O) (=O) C=1C=C2C (=C[C@@] (C) (OC2=CC1) C3OCCO3) N4C (=O) CCC4
Molecular Formula
C17H18N2O6
Molecular Weight
346.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

KR-30450

activates the cardiac ATP-sensitive potassium channel; structure in first source

CAS Number172489-10-0
PubChem CID9906213
IUPAC Name1-[(2R)-2-(1,3-dioxolan-2-yl)-2-methyl-6-nitrochromen-4-yl]pyrrolidin-2-one
Molecular FormulaC17H18N2O6
Molecular Weight346.3
XLogP1.1
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity596
SMILES
C[C@@]1(C=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3CCCC3=O)C4OCCO4
InChI
InChI=1S/C17H18N2O6/c1-17(16-23-7-8-24-16)10-13(18-6-2-3-15(18)20)12-9-11(19(21)22)4-5-14(12)25-17/h4-5,9-10,16H,2-3,6-8H2,1H3/t17-/m1/s1
InChIKey
NJJPKIPOZSWUHV-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of KR-30450
CAS: 172489-10-0
CID: 9906213
Formula: C17H18N2O6
MW: 346.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.3
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass346.11648630
Monoisotopic Mass346.11648630
Topological Polar Surface Area93.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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