1.0 2016-05-22 05:02:39 UTC 2026-08-19 15:19:45 UTC Metolazone SmallMolecule Metolazone is an organic compound with the chemical formula C16H16ClN3O3S and an average molecular weight of 365.83 g/mol. Metolazone belongs to the benzodiazines, a subclass of diazanaphthalenes within the organic compounds. In terms of its biological activity, the compound is a recorded inhibitor of the protein target Solute carrier family 12 member 3 (SLC12A3). The compound is associated with 15 recorded sources across several categories. Within healthcare, pharmaceuticals, and veterinary products, it is found in diuretics and gynecologicals. It is also used in food preservation within the food, food processing, and cookware sector. Additional sources include household cleaning and consumer products, such as soap dispensers, perfumes within detergents and soaps, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites. Furthermore, it is released from electrical and electronic equipment, including antennas, amplifiers, electrodes, discharge lamps, and electrically stimulated smoking devices. The recorded route of exposure for metolazone is oral. C16H16ClN3O3S 365.835 365.06008979 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide metolazone 17560-51-9 CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23) AQCHWTWZEMGIFD-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Diazanaphthalenes Benzodiazines Quinazolines Amino acids and derivatives Aminosulfonyl compounds Aryl chlorides Azacyclic compounds Hydrocarbon derivatives Lactams Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Organosulfonamides Secondary alkylarylamines Tertiary carboxylic acid amides Toluenes Vinylogous amides Amine Amino acid or derivatives Aminosulfonyl compound Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Carboxamide group Carboxylic acid derivative Hydrocarbon derivative Lactam Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfonic acid or derivatives Organochloride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfonic acid amide Organosulfonic acid or derivatives Organosulfur compound Quinazoline Secondary aliphatic/aromatic amine Secondary amine Sulfonyl Tertiary carboxylic acid amide Toluene Vinylogous amide Aromatic heteropolycyclic compounds organochlorine compound quinazolines sulfonamide Detected and Not Quantified Metolazone Action Pathway (old) SMP0000105 Metolazone Action Pathway SMP0123151 Metolazone Drug Metabolism Action Pathway SMP0142974 logp 2.94 logp 3.21 ALOGPS logs -3.95 ALOGPS solubility 4.07e-02 g/l ALOGPS logp 2.94 ChemAxon pka_strongest_acidic 9.54 ChemAxon pka_strongest_basic -1.6 ChemAxon iupac 7-chloro-2-methyl-3-(2-methylphenyl)-4-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide ChemAxon average_mass 365.835 ChemAxon mono_mass 365.06008979 ChemAxon smiles CC1NC2=CC(Cl)=C(C=C2C(=O)N1C1=CC=CC=C1C)S(N)(=O)=O ChemAxon formula C16H16ClN3O3S ChemAxon inchi InChI=1S/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23) ChemAxon inchikey AQCHWTWZEMGIFD-UHFFFAOYSA-N ChemAxon polar_surface_area 92.5 ChemAxon refractivity 94.59 ChemAxon polarizability 36.38 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f72a9651198> DB00524 4170 4026 BE0000419