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Nicorandil N-oxide

CAT: 0013-GTR19232497-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232497-01Size:1 mg
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Description
Nicorandil N-oxide is a bioactive metabolite that acts as a nitric oxide donor and a selective activator of the ATP-sensitive potassium channel Kir6.2/SUR2B. It is a valuable research tool for investigating cardiovascular pharmacology and channel function in both in vitro and in vivo experimental models.
CAS Number
107833-98-7
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (NCCON (=O) =O) (=O) C1=CN (=O) =CC=C1
Molecular Formula
C8H9N3O5
Molecular Weight
227.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nicorandil N-Oxide
CAS Number107833-98-7
PubChem CID46782470
IUPAC Name2-[(1-oxidopyridin-1-ium-3-carbonyl)amino]ethyl nitrate
Molecular FormulaC8H9N3O5
Molecular Weight227.17
XLogP-0.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity255
SMILES
C1=CC(=C[N+](=C1)[O-])C(=O)NCCO[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O5/c12-8(9-3-5-16-11(14)15)7-2-1-4-10(13)6-7/h1-2,4,6H,3,5H2,(H,9,12)
InChIKey
NALIEKHMDVZBFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicorandil N-Oxide
CAS: 107833-98-7
CID: 46782470
Formula: C8H9N3O5
MW: 227.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.17
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass227.05422040
Monoisotopic Mass227.05422040
Topological Polar Surface Area110 Ų
Heavy Atom Count16
Formal Charge0
Complexity255
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

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Alternative Products

CatalogName
CS-O-10020Nicorandil N-Oxide
AR-N01403-01Nicorandil Pyridine N-Oxide
TRC-N398530-50MGNicorandil Pyridine Oxide
MBS6116528-01Nicorandil-d4 (N-[2-(Nitrooxy)ethyl]-3-pyridinecarboxamide-d4, SG-75-d4, Adancor-d4, Ikorel-d4, Perisalol-d4, Sigmart-d4)
N2561-02Nicorandil-d4 (N-[2- (Nitrooxy) ethyl]-3-pyridinecarboxamide-d4, SG-75-d4, Adancor-d4, Ikorel-d4, Perisalol-d4, Sigmart-d4)
B2197-5.1Nicorandil

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