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 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 Types Sources 11136296 PubMed citation Europe PMC 1706990 PubMed citation Europe PMC 25341854 PubMed citation Europe PMC 28649438 PubMed citation Europe PMC 28740200 PubMed citation Europe PMC 32302808 PubMed citation Europe PMC 3370063 PubMed citation Europe PMC Last Modified 25 June 2020