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CHEBI:155897 - hydroxy torasemide

ChEBI IDCHEBI:155897
ChEBI Namehydroxy torasemide
Stars
DefinitionAn aromatic primary alcohol resulting from the hydroxylation of the 3'-methyl group of the phenyl ring of torasemide. It is a metabolite of torasemide.
Last Modified25 June 2020
SubmitterAdnan
DownloadsMolfile
FormulaC16H20N4O4S
Net Charge0
Average Mass364.427
Monoisotopic Mass364.12053
SMILESCC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(CO)c1
InChIInChI=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)
InChIKeyWCYVLAMJCQZUCR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-[[4-[3-(hydroxymethyl)anilino]-3-pyridyl]sulfonyl]-3-isopropylureaChEBI
N-(isopropylcarbamoyl)-4-[3-(hydroxymethyl)phenylamino]-3-pyridinesulfonamideChEBI
hydroxytorasemideChEBI
hydroxy torsemideChEBI
hydroxytorsemideDrugBank
torasemide M1DrugBank
Manual XrefsDatabases
HMDB0060982HMDB
Registry NumbersSources
CAS:99300-68-2ChEBI
Citations