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CHEBI:155916 - torasemide carboxylic acid
| Formula | C16H18N4O5S |
| Net Charge | 0 |
| Average Mass | 378.410 |
| Monoisotopic Mass | 378.09979 |
| SMILES | CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(C(=O)O)c1 |
| InChI | InChI=1S/C16H18N4O5S/c1-10(2)18-16(23)20-26(24,25)14-9-17-7-6-13(14)19-12-5-3-4-11(8-12)15(21)22/h3-10H,1-2H3,(H,17,19)(H,21,22)(H2,18,20,23) |
| InChIKey | PGPRBNDLCZQUST-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | urine (BTO:0001419) | PubMed (11718311) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| torasemide carboxylic acid (CHEBI:155916) has functional parent torasemide (CHEBI:9637) |
| torasemide carboxylic acid (CHEBI:155916) has role drug metabolite (CHEBI:49103) |
| torasemide carboxylic acid (CHEBI:155916) has role human urinary metabolite (CHEBI:84087) |
| torasemide carboxylic acid (CHEBI:155916) has role human xenobiotic metabolite (CHEBI:76967) |
| torasemide carboxylic acid (CHEBI:155916) is a N-sulfonylurea (CHEBI:76983) |
| torasemide carboxylic acid (CHEBI:155916) is a aminopyridine (CHEBI:38207) |
| torasemide carboxylic acid (CHEBI:155916) is a benzoic acids (CHEBI:22723) |
| torasemide carboxylic acid (CHEBI:155916) is a monocarboxylic acid (CHEBI:25384) |
| torasemide carboxylic acid (CHEBI:155916) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| 3-({3-[(propan-2-ylcarbamoyl)sulfamoyl]pyridin-4-yl}amino)benzoic acid |
| Synonyms | Source |
|---|---|
| torasemide M5 | DrugBank |
| 3-[[3-[[[(isopropylamino)carbonyl]amino]sulfonyl]pyridine-4-yl]amino]benzoic acid | ChEBI |
| N-(isopropylcarbamoyl)-4-(3-carboxyphenylamino)-3-pyridinesulfonamide | ChEBI |
| torsemide carboxylic acid | ChEBI |
| 3'-carboxy torasemide | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:113844-99-8 | ChEBI |
| Citations |
|---|