1.0 2016-05-25 18:23:21 UTC 2026-08-18 01:56:50 UTC Dorzolamide SmallMolecule Dorzolamide is an organic compound with the chemical formula C10H16N2O4S3 and an average molecular weight of 324.44 g/mol. Dorzolamide belongs to the 2,3,5-trisubstituted thiophenes, a subclass of thiophenes within the organic compounds. It is categorized as an organoheterocyclic compound. The compound is identified as an inhibitor of four protein targets: Carbonic anhydrase 1 (CA1), Carbonic anhydrase 2 (CA2), Carbonic anhydrase 3 (CA3), and Carbonic anhydrase 4 (CA4). Regarding its presence in commercial products, it is found in or released from four recorded sources. These include household cleaning and consumer products, specifically other smoking requisites and non electric simulated smoking devices, as well as healthcare, pharmaceuticals and veterinary products, specifically miotics and antiglaucoma preparations and gynecologicals. The recorded exposure route for this compound is ophthalmic. C10H16N2O4S3 324.44 324.02721908 (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1λ⁶-thieno[2,3-b]thiopyran-6-sulfonamide dorzolamide 120279-96-1 CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 IAVUPMFITXYVAF-XPUUQOCRSA-N Organic compounds Organoheterocyclic compounds Thiophenes 2,3,5-trisubstituted thiophenes 2,3,5-trisubstituted thiophenes Aminosulfonyl compounds Aralkylamines Dialkylamines Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organosulfonamides Sulfones Thiopyrans 2,3,5-trisubstituted thiophene Amine Aminosulfonyl compound Aralkylamine Aromatic heteropolycyclic compound Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Secondary aliphatic amine Secondary amine Sulfone Sulfonyl Thiopyran Aromatic heteropolycyclic compounds sulfonamide thiophenes Detected and Not Quantified Dorzolamide Drug Metabolism Action Pathway SMP0143304 logp -0.12 logp -0.50 ALOGPS logs -2.67 ALOGPS solubility 6.99e-01 g/l ALOGPS logp -0.15 ChemAxon pka_strongest_acidic 8.18 ChemAxon pka_strongest_basic 7.14 ChemAxon iupac (2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H-1λ⁶-thieno[2,3-b]thiopyran-6-sulfonamide ChemAxon average_mass 324.44 ChemAxon mono_mass 324.02721908 ChemAxon smiles CCN[C@H]1C[C@H](C)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O ChemAxon formula C10H16N2O4S3 ChemAxon inchi InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1 ChemAxon inchikey IAVUPMFITXYVAF-XPUUQOCRSA-N ChemAxon polar_surface_area 106.33 ChemAxon refractivity 72.46 ChemAxon polarizability 31.55 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7226c2d720> DB00869 5284549 4447604 BE0000322 BE0000267 BE0000535 BE0003625