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CHEBI:9637 - torasemide

ChEBI IDCHEBI:9637
ChEBI Nametorasemide
Stars
DefinitionAn N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. It is a potent loop diuretic used for the treatment of hypertension and edema in patients with congestive heart failure.
Last Modified25 June 2020
DownloadsMolfile
FormulaC16H20N4O3S
Net Charge0
Average Mass348.428
Monoisotopic Mass348.12561
SMILESCc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1
InChIInChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)
InChIKeyNGBFQHCMQULJNZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
loop diuretic  A diuretic that acts on the ascending loop of Henle in the kidney.
ChEBI Ontology
Outgoing Relation(s)
torasemide (CHEBI:9637) has functional parent 4-aminopyridine (CHEBI:34385)
torasemide (CHEBI:9637) has role antihypertensive agent (CHEBI:35674)
torasemide (CHEBI:9637) has role loop diuretic (CHEBI:77608)
torasemide (CHEBI:9637) is a N-sulfonylurea (CHEBI:76983)
torasemide (CHEBI:9637) is a aminopyridine (CHEBI:38207)
torasemide (CHEBI:9637) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
4'-hydroxy torasemide (CHEBI:155915) has functional parent torasemide (CHEBI:9637)
hydroxy torasemide (CHEBI:155897) has functional parent torasemide (CHEBI:9637)
torasemide carboxylic acid (CHEBI:155916) has functional parent torasemide (CHEBI:9637)
IUPAC Name 
4-(3-methylanilino)-N-(propan-2-ylcarbamoyl)pyridine-3-sulfonamide
INNs  Source
torasemideWHO MedNet
torasemidaWHO MedNet
torasemidumWHO MedNet
torasémideWHO MedNet
Synonyms  Source
AC 4464ChemIDplus
TorsemideKEGG DRUG
1-isopropyl-3-((4-m-toluidino-3-pyridyl)sulfonyl)ureaChemIDplus
N-(((1-methylethyl)amino)carbonyl)-4-((3-methylphenyl)amino)-3-pyridinesulfonamideChemIDplus
N-[(propan-2-yl)carbamoyl]-4-[(3-methylphenyl)amino]pyridine-3-sulfonamideIUPAC
N-(isopropylcarbamoyl)-4-[(3-methylphenyl)amino]pyridine-3-sulfonamideIUPAC
Brand Names  Source
DemadexKEGG DRUG
LupracKEGG DRUG
UnatChEBI
ToremChEBI
Manual XrefsDatabases
D00382KEGG DRUG
DB00214DrugBank
HMDB0014359HMDB
TorasemideWikipedia
LSM-2662LINCS
2708DrugCentral
Registry NumbersSources
Reaxys:498515Reaxys
CAS:56211-40-6KEGG DRUG
CAS:56211-40-6ChemIDplus
Citations