torasemide (CHEBI:9637)

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ChEBI Name	torasemide

ChEBI ID	CHEBI:9637

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C16H20N4O3S

Net Charge

Average Mass

348.420

Monoisotopic Mass

348.12561

InChI

InChI=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)

InChIKey

NGBFQHCMQULJNZ-UHFFFAOYSA-N

SMILES

C=1(C(NC=2C=C(C=CC2)C)=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 )

Application(s):	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	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	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

Synonyms	Sources
1-isopropyl-3-((4-m-toluidino-3-pyridyl)sulfonyl)urea	ChemIDplus
AC 4464	ChemIDplus
AC-4464	DrugBank
AC4464	ChemIDplus
BM 02015	ChemIDplus
BM-02.015	DrugBank
BM-02015	DrugBank
BM02.015	ChemIDplus
BM02015	ChEBI
JDL 464	ChemIDplus
JDL-464	ChEBI
N-(((1-methylethyl)amino)carbonyl)-4-((3-methylphenyl)amino)-3-pyridinesulfonamide	ChemIDplus
N-(isopropylcarbamoyl)-4-[(3-methylphenyl)amino]pyridine-3-sulfonamide	IUPAC
N-[(propan-2-yl)carbamoyl]-4-[(3-methylphenyl)amino]pyridine-3-sulfonamide	IUPAC
Torsemide	KEGG DRUG

Last Modified

25 June 2020