Nicorandil

CAS Number: 65141-46-0

Molecular Mass: 211.17 g/mol

Formula: C₈H₉N₃O₄

Smiles: O=C(NCCO[N+](=O)[O-])c1cccnc1

Synonymes:

Nicorandil, 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, 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

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Dimethylformamide	278.15	-	37.94	[320]
Dimethylformamide	283.15	-	41.05	[320]
Dimethylformamide	288.15	-	43.72	[320]
Dimethylformamide	293.15	-	46.92	[320]
Dimethylformamide	298.15	-	49.82	[320]
Dimethylformamide	303.15	-	52.71	[320]
Dimethylformamide	308.15	-	55.51	[320]
Dimethylformamide	313.15	-	58.52	[320]
Dimethylformamide	318.15	-	61.35	[320]
Dimethylformamide	323.15	-	65.23	[320]
Ethanol	278.15	-	5.645	[320]
Ethanol	283.15	-	6.116	[320]
Ethanol	288.15	-	6.586	[320]
Ethanol	293.15	-	7.056	[320]
Ethanol	298.15	-	7.519	[320]
Ethanol	303.15	-	7.971	[320]
Ethanol	308.15	-	8.419	[320]
Ethanol	313.15	-	8.864	[320]
Ethanol	318.15	-	9.296	[320]
Ethanol	323.15	-	9.84	[320]
Isopropanol	278.15	-	3.076	[320]
Isopropanol	283.15	-	3.334	[320]
Isopropanol	288.15	-	3.591	[320]
Isopropanol	293.15	-	3.845	[320]
Isopropanol	298.15	-	4.093	[320]
Isopropanol	303.15	-	4.342	[320]
Isopropanol	308.15	-	4.588	[320]
Isopropanol	313.15	-	4.827	[320]
Isopropanol	318.15	-	5.066	[320]
Isopropanol	323.15	-	5.36	[320]
Methanol	278.15	-	9.047	[320]
Methanol	283.15	-	9.639	[320]
Methanol	288.15	-	10.27	[320]
Methanol	293.15	-	11.0	[320]
Methanol	298.15	-	11.76	[320]
Methanol	303.15	-	12.38	[320]
Methanol	308.15	-	13.16	[320]
Methanol	313.15	-	13.83	[320]
Methanol	318.15	-	14.53	[320]
Methanol	323.15	-	15.42	[320]
Water	278.15	-	2.39	[320]
Water	283.15	-	2.599	[320]
Water	288.15	-	2.807	[320]
Water	293.15	-	3.008	[320]
Water	298.15	-	3.217	[320]
Water	303.15	-	3.391	[320]
Water	308.15	-	3.582	[320]
Water	313.15	-	3.778	[320]
Water	318.15	-	4.015	[320]
Water	323.15	-	4.251	[320]

Molecule 3D descriptors

Descriptor	Value
PMI1	432.6808
PMI2	1980.9052
PMI3	2083.3416
NPR1	0.2077
NPR2	0.9508
RadiusOfGyration	3.2630
InertialShapeFactor	0.0022
Eccentricity	0.9782
Asphericity	0.5076
SpherocityIndex	0.2909
PBF	0.8867