1.0 2011-09-21 00:36:46 UTC 2018-05-28 18:37:35 UTC FDB023913 4-Hydroxy tolbutamide 4-Hydroxy tolbutamide is a hydroxylation byproduct of tolbutamide. Tolbutamide is a first generation potassium channel blocker. It is a sulfonylurea oral hypoglycemic drug sold under the brand name Orinase. This drug may be used in the management of type II diabetes if diet alone is not effective. Tolbutamide stimulates the secretion of insulin by the pancreas. [HMDB] 1-Butyl-3-(4-hydroxymethylphenyl)sulfonylurea 1-Butyl-3-(4-hydroxymethylphenyl)sulphonylurea 4 hydroxy tolbutamide 4-Hydroxytolbutamide Hydroxymethyltolbutamide Hydroxytolbutamide Methylhydroxytolbutamide C12H18N2O4S 286.347 286.098727764 3-butyl-1-[4-(hydroxymethyl)benzenesulfonyl]urea hydroxytolbutamide 1185112-19-9 CCCCNC(=O)NS(=O)(=O)C1=CC=C(CO)C=C1 InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16) SJRHYONYKZIRPM-UHFFFAOYSA-N belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. Benzenesulfonamides Organic compounds Benzenoids Benzene and substituted derivatives Benzenesulfonamides Aromatic homomonocyclic compounds Aminosulfonyl compounds Aromatic alcohols Benzenesulfonyl compounds Benzyl alcohols Carbonyl compounds Hydrocarbon derivatives Organic carbonic acids and derivatives Organic oxides Organopnictogen compounds Organosulfonic acids and derivatives Primary alcohols Sulfonylureas Alcohol Aminosulfonyl compound Aromatic alcohol Aromatic homomonocyclic compound Benzenesulfonamide Benzenesulfonyl group Benzyl alcohol Carbonic acid derivative Carbonyl group Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid or derivatives Organosulfur compound Primary alcohol Sulfonyl Sulfonylurea benzyl alcohols sulfonamide ureas Solid logp 1.13 ALOGPS logs -2.63 ALOGPS solubility 6.76e-01 g/l ALOGPS logp 1.01 ChemAxon pka_strongest_acidic 4.33 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3-butyl-1-[4-(hydroxymethyl)benzenesulfonyl]urea ChemAxon average_mass 286.347 ChemAxon mono_mass 286.098727764 ChemAxon smiles CCCCNC(=O)NS(=O)(=O)C1=CC=C(CO)C=C1 ChemAxon formula C12H18N2O4S ChemAxon inchi InChI=1S/C12H18N2O4S/c1-2-3-8-13-12(16)14-19(17,18)11-6-4-10(9-15)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H2,13,14,16) ChemAxon inchikey SJRHYONYKZIRPM-UHFFFAOYSA-N ChemAxon polar_surface_area 95.5 ChemAxon refractivity 72.04 ChemAxon polarizability 29.64 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18269 Specdb::CMs 39013 Specdb::CMs 134717 Specdb::CMs 142451 Specdb::MsMs 76419 Specdb::MsMs 76420 Specdb::MsMs 76421 Specdb::MsMs 136245 Specdb::MsMs 136246 Specdb::MsMs 136247 Specdb::MsMs 3055010 Specdb::MsMs 3055011 Specdb::MsMs 3055012 Specdb::MsMs 3116097 Specdb::MsMs 3116098 Specdb::MsMs 3116099 HMDB06408