1.0 2016-09-30 23:14:49 UTC 2020-04-22 15:15:10 UTC BMDB0005031 BMDB05031 Rosiglitazone 5-((4-(2-(Methyl-2-pyridinylamino)ethoxy)phenyl)methyl)-2,4-thiazolidinedione BRL-49653 Rosiglitazona Rosiglitazonum Gaudil Avandia Rosiglitazone maleate Rosiglizole 5-((4-(2-Methyl-2-(pyridinylamino)ethoxy)phenyl)methyl)-2,4-thiazolidinedione-2-butenedioate GlaxoSmithKline brand OF rosiglitazone maleate SmithKline beecham brand OF rosiglitazone maleate Glaxo wellcome brand OF rosiglitazone maleate C18H19N3O3S 357.427 357.114712179 5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione rosiglitazone 122320-73-4 CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) YASAKCUCGLMORW-UHFFFAOYSA-N belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. Organic compounds Benzenoids Phenol ethers Phenol ethers Alkyl aryl ethers Aminopyridines and derivatives Azacyclic compounds Carbonyl compounds Dialkylarylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Organic carbonic acids and derivatives Organic oxides Organopnictogen compounds Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Thiazolines Alkyl aryl ether Aminopyridine Aromatic heteromonocyclic compound Azacycle Carbonic acid derivative Carbonyl group Dialkylarylamine Ether Heteroaromatic compound Hydrocarbon derivative Imidolactam Meta-thiazoline Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol ether Phenoxy compound Propargyl-type 1,3-dipolar organic compound Pyridine Aromatic heteromonocyclic compounds aminopyridine thiazolidenediones Solid logp 2.95 ALOGPS logs -3.97 ALOGPS logp 2.45 ChemAxon pka_strongest_acidic 6.84 ChemAxon pka_strongest_basic 6.23 ChemAxon iupac 5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione ChemAxon average_mass 357.427 ChemAxon mono_mass 357.114712179 ChemAxon smiles CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 ChemAxon formula C18H19N3O3S ChemAxon inchi InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) ChemAxon inchikey YASAKCUCGLMORW-UHFFFAOYSA-N ChemAxon polar_surface_area 71.53 ChemAxon refractivity 97.79 ChemAxon polarizability 37.8 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 5 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 23539 Specdb::CMs 159044 Specdb::MsMs 69159 Specdb::MsMs 69160 Specdb::MsMs 69161 Specdb::MsMs 127374 Specdb::MsMs 127375 Specdb::MsMs 127376 Specdb::MsMs 374337 Specdb::MsMs 450863 Specdb::MsMs 450952 Specdb::MsMs 450997 Specdb::MsMs 2229651 Specdb::MsMs 2229818 Specdb::MsMs 3042832 Specdb::MsMs 3042833 Specdb::MsMs 3042834 Specdb::MsMs 3097366 Specdb::MsMs 3097367 Specdb::MsMs 3097368 DB00412 FDB023598 70383 50122 77999 Rosiglitazone Manne Reddy, "Amorphous form of rosiglitazone maleate and process for preparation thereof." U.S. Patent US20040242658, issued December 02, 2004.