Molecular Identity
Nicorandil
2-(pyridine-3-carbonylamino)ethyl nitrate
PubChem CID: 47528
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.
2D Structure
Properties
C8H9N3O4
Molecular Formula
211.17
Molecular Weight
g/mol
211.0593
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
97
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
228
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]Isomeric SMILES
SMILES: C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]Synonyms(20)
NICORANDIL65141-46-0Ikorel2-Nicotinamidoethyl nitrateSigmartDancorSG-75Nicorandilum2-(pyridine-3-carbonylamino)ethyl nitrateSG 75N-(2-Hydroxyethyl)nicotinamide nitrateN-(2-Hydroxyethyl)nicotinamide nitrate (ester)DTXSID8045692N-[2-(Nitrooxy)ethyl]pyridine-3-carboxamide3-Pyridinecarboxamide, N-(2-(nitroxy)ethyl)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nicorandil
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