1.0 2016-05-22 07:18:47 UTC 2026-08-19 23:10:08 UTC Sitaxentan SmallMolecule Sitaxentan is an organic compound with the chemical formula C18H15ClN2O6S2 and an average molecular weight of 454.90 g/mol. Sitaxentan belongs to the benzodioxoles, a class of organoheterocyclic compounds within the organic compounds. This compound is identified as an antagonist of the Endothelin-1 receptor (EDNRA) and the Endothelin receptor type B (EDNRB). It has been recorded in 11 different sources, including antihypertensives within the category of healthcare, pharmaceuticals, and veterinary products. Other recorded sources include pipe accessories in household cleaning and consumer products, ladders in building and construction, as well as various electrical and electronic equipment such as antennas, amplifiers, auxiliary devices, discharge lamps, and line transmission systems. The recorded route of exposure for sitaxentan is oral. C18H15ClN2O6S2 454.905 454.006005309 N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide thelin 184036-34-8 CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3 PHWXUGHIIBDVKD-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Benzodioxoles Benzodioxoles Acetals Aminosulfonyl compounds Aryl alkyl ketones Aryl chlorides Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Isoxazoles Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Organosulfonamides Oxacyclic compounds Thiophenes Acetal Aminosulfonyl compound Aromatic heteropolycyclic compound Aryl alkyl ketone Aryl chloride Aryl halide Aryl ketone Azacycle Azole Benzenoid Benzodioxole Heteroaromatic compound Hydrocarbon derivative Isoxazole Ketone 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 Oxacycle Sulfonyl Thiophene Aromatic heteropolycyclic compounds Detected and Not Quantified Sitaxentan Drug Metabolism Action Pathway SMP0144029 logp 3.09 logp 3.35 ALOGPS logs -4.40 ALOGPS solubility 1.81e-02 g/l ALOGPS logp 3.09 ChemAxon pka_strongest_acidic 6.89 ChemAxon pka_strongest_basic 0.75 ChemAxon iupac N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide ChemAxon average_mass 454.905 ChemAxon mono_mass 454.006005309 ChemAxon smiles CC1=NOC(NS(=O)(=O)C2=C(SC=C2)C(=O)CC2=CC3=C(OCO3)C=C2C)=C1Cl ChemAxon formula C18H15ClN2O6S2 ChemAxon inchi InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3 ChemAxon inchikey PHWXUGHIIBDVKD-UHFFFAOYSA-N ChemAxon polar_surface_area 107.73 ChemAxon refractivity 105.8 ChemAxon polarizability 43.12 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 6 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727bdf1fe8> DB06268 216235 187436 BE0000521 BE0000043