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Nicorandil 500mg

CAT: 0628-A10641-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A10641-500Size:500 mg
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CAS Number
65141-46-0

Chemical Information

Nicorandil

Nicorandil is a pyrimidinecarboxamide that is nicotinamide in which one of the hydrogens attached to the carboxamide nitrogen is replaced by a 2-(nitrooxy)ethyl group. It has both nitrate-like and ATP-sensitive potassium channel activator properties, and is used for the prevention and treatment of angina pectoris. It has a role as a vasodilator agent and a potassium channel opener. It is a pyridinecarboxamide and a nitrate ester. It is functionally related to a nicotinamide.

CAS Number65141-46-0
PubChem CID47528
IUPAC Name2-(pyridine-3-carbonylamino)ethyl nitrate
Molecular FormulaC8H9N3O4
Molecular Weight211.17
XLogP0.8
Topological Polar Surface Area97
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity228
SMILES
C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)
InChIKey
LBHIOVVIQHSOQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nicorandil
CAS: 65141-46-0
CID: 47528
Formula: C8H9N3O4
MW: 211.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.17
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass211.05930578
Monoisotopic Mass211.05930578
Topological Polar Surface Area97 Ų
Heavy Atom Count15
Formal Charge0
Complexity228
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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