1.0 2016-05-22 03:44:05 UTC 2026-08-22 06:30:19 UTC Nicardipine SmallMolecule Nicardipine is an organic compound with the formula C26H29N3O6 and an average molecular weight of 479.52 g/mol. Nicardipine belongs to the hydropyridines, a subclass of pyridines and derivatives within the organic compounds. It is classified as an organoheterocyclic compound. This substance is recorded as being released from or found in 12 sources. These include healthcare, pharmaceuticals and veterinary products as calcium channel blockers, as well as food, food processing and cookware involving food preservation and the preparation of wine or sparkling wine. Other sources include household cleaning and consumer products such as perfumes within detergents and soaps, tobacco smoke filters, cigar cigarettes, and other smoking requisites. It is also associated with electrical and electronic equipment, specifically electrodes, hybrid capacitors, antennas, conductors or conductive bodies characterised by the conductive materials, and electrically stimulated smoking devices. Exposure routes for the compound include oral and intravenous administration. Nicardipine acts on 31 recorded protein targets, serving as an antagonist, inhibitor, or other unknown regulator. These targets include the alpha-1A adrenergic receptor (ADRA1A), dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (PDE1A), dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (PDE1B), and voltage-dependent L-type calcium channel subunit alpha-1C (CACNA1C), among 27 other proteins. Regarding health effects, nicardipine is used as a treatment for hypertension (PMC5698911), as well as dementia (PMC12454544) and memory loss (PMC12454544). C26H29N3O6 479.525 479.205635675 3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate nicardipine 55985-32-5 COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3 ZBBHBTPTTSWHBA-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Pyridines and derivatives Hydropyridines Dihydropyridinecarboxylic acids and derivatives Amino acids and derivatives Aralkylamines Azacyclic compounds Benzylamines Carbonyl compounds Dialkylamines Dicarboxylic acids and derivatives Enamines Enoate esters Hydrocarbon derivatives Methyl esters Nitroaromatic compounds Nitrobenzenes Organic oxides Organic oxoazanium compounds Organic zwitterions Organopnictogen compounds Phenylmethylamines Propargyl-type 1,3-dipolar organic compounds Trialkylamines Vinylogous amides Allyl-type 1,3-dipolar organic compound Alpha,beta-unsaturated carboxylic ester Amine Amino acid or derivatives Aralkylamine Aromatic heteromonocyclic compound Azacycle Benzenoid Benzylamine 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 Organic zwitterion Organonitrogen compound Organooxygen compound Organopnictogen compound Phenylmethylamine Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Tertiary aliphatic amine Tertiary amine Vinylogous amide Aromatic heteromonocyclic compounds dihydropyridine Detected and Not Quantified Nicardipine Action Pathway SMP0126333 Nicardipine Drug Metabolism Action Pathway SMP0143068 logp 3.56 logp 4.34 ALOGPS logs -5.29 ALOGPS solubility 2.47e-03 g/l ALOGPS logp 3.56 ChemAxon pka_strongest_basic 8.18 ChemAxon iupac 3-{2-[benzyl(methyl)amino]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate ChemAxon average_mass 479.525 ChemAxon mono_mass 479.205635675 ChemAxon smiles COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OCCN(C)CC1=CC=CC=C1 ChemAxon formula C26H29N3O6 ChemAxon inchi InChI=1S/C26H29N3O6/c1-17-22(25(30)34-4)24(20-11-8-12-21(15-20)29(32)33)23(18(2)27-17)26(31)35-14-13-28(3)16-19-9-6-5-7-10-19/h5-12,15,24,27H,13-14,16H2,1-4H3 ChemAxon inchikey ZBBHBTPTTSWHBA-UHFFFAOYSA-N ChemAxon polar_surface_area 113.69 ChemAxon refractivity 134.8 ChemAxon polarizability 49.95 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f726c484ed8> DB00622 4474 4319 BE0003323 BE0000430 BE0003565 BE0000501 BE0000715 BE0000575 BE0000092 BE0000560 BE0000045 BE0000405 BE0000247 BE0000691 BE0002354 BE0002359 BE0002356 BE0000356 BE0000483 BE0004902 BE0002357 BE0000864 BE0002358 BE0002226 BE0000303 BE0000679 BE0002355 BE0003563 BE0002396 BE0000012 BE0012563 BE0008705 BE0008706