1.0 2016-05-22 05:21:45 UTC 2026-05-14 16:51:36 UTC Isosorbide dinitrate SmallMolecule Isosorbide dinitrate (C6H8N2O8) is an organic compound with an average molecular weight of 236.14 g/mol. Isosorbide dinitrate belongs to the isosorbides, a subclass of furofurans within the organic compounds. It is classified as an organoheterocyclic compound. The substance is found in or released from 31 recorded sources. These include household cleaning and consumer products such as bleaching agents, perfumes within detergents and soaps, cigar cigarettes, other smoking requisites, and non electric simulated smoking devices. In the category of food, food processing and cookware, it is associated with food preservation, processing meats, and fermentation processes for beer. It is also found in building and construction materials, specifically ladders, as well as electrical and electronic equipment including antennas, amplifiers, discharge lamps, auxiliary devices, and conductors or conductive bodies characterised by the conductive materials. Within healthcare, pharmaceuticals and veterinary products, the compound is used as vasoprotectives and as vasodilators used in cardiac diseases. Recorded exposure routes for isosorbide dinitrate include sublingual, oral, and intramuscular administration. Regarding its biological activity, one protein target has been recorded: it acts as an agonist of Atrial natriuretic peptide receptor 1 (NPR1). C6H8N2O8 236.1363 236.028065242 (3S,3aS,6R,6aS)-6-(nitrooxy)-hexahydrofuro[3,2-b]furan-3-yl nitrate (3S,3aS,6R,6aS)-6-(nitrooxy)-hexahydrofuro[3,2-b]furan-3-yl nitrate 87-33-2 [H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1 MOYKHGMNXAOIAT-JGWLITMVSA-N Organic compounds Organoheterocyclic compounds Furofurans Isosorbides Isosorbides Alkyl nitrates Dialkyl ethers Hydrocarbon derivatives Organic nitric acids and derivatives Organic nitro compounds Organic nitrogen compounds Organic oxides Oxacyclic compounds Tetrahydrofurans Aliphatic heteropolycyclic compound Alkyl nitrate Allyl-type 1,3-dipolar organic compound Dialkyl ether Ether Hydrocarbon derivative Isosorbide Organic 1,3-dipolar compound Organic nitrate Organic nitric acid or derivatives Organic nitro compound Organic nitrogen compound Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tetrahydrofuran Aliphatic heteropolycyclic compounds glucitol derivative nitrate ester Detected and Not Quantified Isosorbide Dinitrate Action Pathway SMP0125279 Isosorbide dinitrate Drug Metabolism SMP0130641 logp -0.0096 logp 0.87 ALOGPS logs -2.40 ALOGPS solubility 9.38e-01 g/l ALOGPS logp 0.44 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac (3S,3aS,6R,6aS)-6-(nitrooxy)-hexahydrofuro[3,2-b]furan-3-yl nitrate ChemAxon average_mass 236.1363 ChemAxon mono_mass 236.028065242 ChemAxon smiles [H][C@]12OC[C@H](O[N+]([O-])=O)[C@@]1([H])OC[C@H]2O[N+]([O-])=O ChemAxon formula C6H8N2O8 ChemAxon inchi InChI=1S/C6H8N2O8/c9-7(10)15-3-1-13-6-4(16-8(11)12)2-14-5(3)6/h3-6H,1-2H2/t3-,4+,5-,6-/m1/s1 ChemAxon inchikey MOYKHGMNXAOIAT-JGWLITMVSA-N ChemAxon polar_surface_area 128.56 ChemAxon refractivity 44.77 ChemAxon polarizability 18.07 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 8 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72262505b8> DB00883 6883 6619 BE0000556