Compound: NICORANDIL
SMILES: O=[N+](OCCNC(=O)c1cnccc1)[O-]
InChIKey: LBHIOVVIQHSOQN-UHFFFAOYSA-N
Synonyms: NICORANDIL, 65141-46-0, Ikorel, Sigmart, 2-Nicotinamidoethyl nitrate, Dancor, SG-75, Nicorandilum, 2-(pyridine-3-carbonylamino)ethyl nitrate, SG 75, N-(2-Hydroxyethyl)nicotinamide nitrate, N-(2-Hydroxyethyl)nicotinamide nitrate (ester), N-[2-(Nitrooxy)ethyl]pyridine-3-carboxamide, 3-Pyridinecarboxamide, N-(2-(nitroxy)ethyl)-, DTXSID8045692, CHEBI:31905, 260456HAM0, DTXCID6025692, Nikoran, Nitorubin, Aprior, 2-Nicotinamidethyl Nitrate, 2 Nicotinamidethyl Nitrate, 2 Nicotinamidoethyl Nitrate, Nitrate, 2-Nicotinamidethyl, Nitrate, 2-Nicotinamidoethyl, SG75, N-(2-(Nitrooxy)ethyl)pyridine-3-carboxamide, Angedil, RefChem:389148, C01DX16, 265-514-1, Adancor, 2-(nicotinamido)ethyl nitrate, MFCD00186520, 2-(Pyridine-3-carboxamido)ethyl Nitrate, 2-[(pyridin-3-yl)formamido]ethyl nitrate, 3-PYRIDINECARBOXAMIDE, N-[2-(NITROOXY)ETHYL]-, NCGC00025357-01, 3-Pyridinecarboxamide, N-(2-(nitrooxy)ethyl)-, Nicorandilum [INN-Latin], 2-[(PYRIDIN-3-YLCARBONYL)AMINO]ETHYL NITRATE, 2-(Nicotinamido)ethyl nitrat, N-[2-(NITROOXY)ETHYL]-3-PYRIDINECARBOXAMIDE, SMR000466365, Sigmart (TN), CAS-65141-46-0, PERISALOL, N-[2-(nitrooxy)ethyl]-3-pyridylcarboxamide, SR-01000597534, EINECS 265-514-1, BRN 0481451, Nicorandilo, Siomart, Perisalol;, Sigmart;, Nicorandil CRS, Ikorel;, UNII-260456HAM0, Nicorandil [USAN:INN:BAN:JAN], Nicorandil (Ikorel), Nicorandil (Standard), CPD000466365, RP-46417, NICORANDIL [MI], NICORANDIL [INN], NICORANDIL [JAN], NICORANDIL [USAN], NICORANDIL [MART.], NICORANDIL [WHO-DD], SCHEMBL34547, MLS000759488, MLS001424162, MLS002222323, MLS006010701, CHEMBL284906, GTPL2411, Nicorandil - Bio-X trade mark, orb1310965, Nicorandil (JP18/USAN/INN), SCHEMBL29512234, HY-B0341R, NICORANDIL [EP MONOGRAPH], HMS2051N16, HMS2089L12, HMS2095E14, HMS2232A06, HMS3268L19, HMS3371N18, HMS3393N16, HMS3413G17, HMS3655P05, HMS3677G17, HMS3712E14, HMS5080P09, HY-B0341, Tox21_110968, BDBM50247908, EBC-06448, EBC-11178, MSK168225, s1971, SBB080749, STL445540, AKOS001589705, AKOS015855406, AKOS025149378, Tox21_110968_1, AB04467, AC-4690, CCG-101045, DB09220, FN15906, HS-0049, NC00295, NCGC00025357-02, NCGC00025357-04, 2-(pyridine-3-carbylamino) ethyl nitrate, BN164649, N -(2-Hydroxyethyl)nicotinamide nitrate;, SY076682, N0837, NS00006757, ST45054164, SW197675-3, 2-(PYRIDIN-3-YLFORMAMIDO)ETHYL NITRATE, D01810, T72780, AB00639978-08, AB00639978-09, AB00639978_10, AB00639978_11, EN300-1719807, N -[2-(Nitrooxy)ethyl]-3-pyridinecarboxamide;, F521158, Q862989, SR-01000597534-1, SR-01000597534-5, BRD-K97752965-001-01-6, BRD-K97752965-001-13-1, BRD-K97752965-001-14-9, BRD-K97752965-001-15-6, BRD-K97752965-001-16-4, Z57965636, F0005-2298
Theoretical properties:
molecular_formula: C8H9N3O4
molecular_weight: 211.17 g/mol
exact_mass: 211.05930578 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 15
topological_polar_surface_area: 97 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 92-93
solubility: Partly miscible
Descriptions:
pubchem: 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.
chebi: 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.
chembl: NICORANDIL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.
wikipedia: Nicorandil is a vasodilator drug used to treat angina, which is chest pain that results from episodes of transient myocardial ischemia. Angina can be caused by diseases such as atherosclerosis, coronary artery disease, and aortic stenosis.
It was patented in 1976 and approved for medical use in 1983.