CHEBI:155897 - hydroxy torasemide

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ChEBI Name hydroxy torasemide ChEBI ID CHEBI:155897 Definition An aromatic primary alcohol resulting from the hydroxylation of the 3'-methyl group of the phenyl ring of torasemide. It is a metabolite of torasemide. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information eMolecules:36758541, ZINC000034303655 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H20N4O4S Net Charge 0 Average Mass 364.420 Monoisotopic Mass 364.12053 InChI InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22) InChIKey WCYVLAMJCQZUCR-UHFFFAOYSA-N SMILES C=1(C(NC=2C=C(C=CC2)CO)=CC=NC1)S(NC(NC(C)C)=O)(=O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): drug metabolite human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. View more via ChEBI Ontology ChEBI Ontology Outgoing hydroxy torasemide (CHEBI:155897) has functional parent torasemide (CHEBI:9637) hydroxy torasemide (CHEBI:155897) has role drug metabolite (CHEBI:49103) hydroxy torasemide (CHEBI:155897) has role human xenobiotic metabolite (CHEBI:76967) hydroxy torasemide (CHEBI:155897) is a N-sulfonylurea (CHEBI:76983) hydroxy torasemide (CHEBI:155897) is a aminopyridine (CHEBI:38207) hydroxy torasemide (CHEBI:155897) is a aromatic primary alcohol (CHEBI:33857) hydroxy torasemide (CHEBI:155897) is a secondary amino compound (CHEBI:50995) IUPAC Name 4-[3-(hydroxymethyl)anilino]-N-(propan-2-ylcarbamoyl)pyridine-3-sulfonamide Synonyms Sources 1-[[4-[3-(hydroxymethyl)anilino]-3-pyridyl]sulfonyl]-3-isopropylurea ChEBI hydroxy torsemide ChEBI hydroxytorasemide ChEBI hydroxytorsemide DrugBank N-(isopropylcarbamoyl)-4-[3-(hydroxymethyl)phenylamino]-3-pyridinesulfonamide ChEBI torasemide M1 DrugBank Manual Xref Database HMDB0060982 HMDB View more database links Registry Number Type Source 99300-68-2 CAS Registry Number ChEBI Citations Last Modified 25 June 2020