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CHEBI:155915 - 4'-hydroxy torasemide
| Formula | C16H20N4O4S |
| Net Charge | 0 |
| Average Mass | 364.427 |
| Monoisotopic Mass | 364.12053 |
| SMILES | Cc1cc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)ccc1O |
| InChI | InChI=1S/C16H20N4O4S/c1-10(2)18-16(22)20-25(23,24)15-9-17-7-6-13(15)19-12-4-5-14(21)11(3)8-12/h4-10,21H,1-3H3,(H,17,19)(H2,18,20,22) |
| InChIKey | BJCCDWZGWOVSPR-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) |
| 4'-hydroxy torasemide (CHEBI:155915) has functional parent torasemide (CHEBI:9637) |
| 4'-hydroxy torasemide (CHEBI:155915) has role drug metabolite (CHEBI:49103) |
| 4'-hydroxy torasemide (CHEBI:155915) has role human xenobiotic metabolite (CHEBI:76967) |
| 4'-hydroxy torasemide (CHEBI:155915) is a N-sulfonylurea (CHEBI:76983) |
| 4'-hydroxy torasemide (CHEBI:155915) is a aminopyridine (CHEBI:38207) |
| 4'-hydroxy torasemide (CHEBI:155915) is a phenols (CHEBI:33853) |
| 4'-hydroxy torasemide (CHEBI:155915) is a secondary amino compound (CHEBI:50995) |
| IUPAC Name |
|---|
| 4-(4-hydroxy-3-methylanilino)-N-(propan-2-ylcarbamoyl)pyridine-3-sulfonamide |
| Synonyms | Source |
|---|---|
| 4'-hydroxytorsemide | ChEBI |
| torasemide M3 | DrugBank |
| 4-(4-hydroxy-3-methylanilino)-3-({[(isopropylamino)carbonyl]amino}sulfonyl) pyridine | ChEBI |
| 4-[(4-hydroxy-3-methylphenyl)amino]-N-[[(1-methylethyl)amino]carbonyl]-3-pyridinesulfonamide | ChEBI |
| 1-[4-(4-hydroxy-3-methylanilino)pyridin-3-yl]sulfonyl-3-propan-2-ylurea | ChEBI |
| 1-[[4-(4-hydroxy-3-methylanilino)-3-pyridyl]sulfonyl]-3-isopropylurea | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:99300-67-1 | ChEBI |
| Citations |
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