1.0 2016-05-22 03:44:21 UTC 2026-08-20 06:05:10 UTC Nisoldipine SmallMolecule Nisoldipine is an organic compound with the formula C20H24N2O6 and an average molecular weight of 388.41 g/mol. Nisoldipine belongs to the hydropyridines, a subclass of pyridines and derivatives within the organic compounds. It is categorized as an organoheterocyclic compound. The compound is found in or released from 16 recorded sources. These include healthcare, pharmaceuticals, and veterinary products, specifically as calcium channel blockers, as well as food preservation within the food, food processing, and cookware category. Other recorded sources include household cleaning and consumer products—such as bleaching agents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and tobacco smoke filters—and electrical and electronic equipment, including amplifiers, antennas, electric switches, adjustable resistors, and conductors or conductive bodies characterised by the conductive materials. The recorded exposure route for this compound is oral. Nisoldipine interacts with five recorded protein targets. It acts as an inhibitor of the voltage-dependent L-type calcium channel subunit alpha-1D (CACNA1D), voltage-dependent L-type calcium channel subunit alpha-1S (CACNA1S), and voltage-dependent L-type calcium channel subunit alpha-1C (CACNA1C). Additionally, it targets the voltage-dependent calcium channel subunit alpha-2/delta-1 (CACNA2D1) and one other protein. 3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate C20H24N2O6 388.4144 388.16343651 3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate nisoldipine 63675-72-9 COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3 VKQFCGNPDRICFG-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Dihydropyridinecarboxylic acids and derivatives Amino acids and derivatives Azacyclic compounds Carbonyl compounds Dialkylamines Dicarboxylic acids and derivatives Enamines Enoate esters Hydrocarbon derivatives Methyl esters Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Vinylogous amides Allyl-type 1,3-dipolar organic compound Alpha,beta-unsaturated carboxylic ester Amine Amino acid or derivatives Aromatic heteromonocyclic compound Azacycle Benzenoid C-nitro compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Dihydropyridinecarboxylic acid derivative Enamine Enoate ester Hydrocarbon derivative Methyl ester Monocyclic benzene moiety Nitroaromatic compound Nitrobenzene Organic 1,3-dipolar compound Organic nitro compound Organic nitrogen compound Organic oxide Organic oxoazanium Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Vinylogous amide Aromatic heteromonocyclic compounds C-nitro compound diester dihydropyridine methyl ester Detected and Not Quantified Nisoldipine Action Pathway SMP0000381 Nisoldipine Action Pathway (New) SMP0126300 Nisoldipine Drug Metabolism Action Pathway SMP0142858 logp 3.06 logp 3.63 ALOGPS logs -4.83 ALOGPS solubility 5.77e-03 g/l ALOGPS logp 3.06 ChemAxon pka_strongest_basic 5.32 ChemAxon iupac 3-methyl 5-(2-methylpropyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate ChemAxon average_mass 388.4144 ChemAxon mono_mass 388.16343651 ChemAxon smiles COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OCC(C)C ChemAxon formula C20H24N2O6 ChemAxon inchi InChI=1S/C20H24N2O6/c1-11(2)10-28-20(24)17-13(4)21-12(3)16(19(23)27-5)18(17)14-8-6-7-9-15(14)22(25)26/h6-9,11,18,21H,10H2,1-5H3 ChemAxon inchikey VKQFCGNPDRICFG-UHFFFAOYSA-N ChemAxon polar_surface_area 110.45 ChemAxon refractivity 105.91 ChemAxon polarizability 39.72 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bb00285d0> DB00401 4499 4343 BE0002359 BE0002355 BE0000430 BE0000691 BE0002354