CHEBI:155916 - torasemide carboxylic acid

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ChEBI Name torasemide carboxylic acid ChEBI ID CHEBI:155916 Definition A monocarboxylic acid resulting from the replacement of the 3'-methyl group of the phenyl ring of torasemide by a carboxy group. It is a metabolite of torasemide. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H18N4O5S Net Charge 0 Average Mass 378.400 Monoisotopic Mass 378.09979 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 SMILES C=1(C(NC=2C=C(C=CC2)C(O)=O)=CC=NC1)S(NC(NC(C)C)=O)(=O)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. drug metabolite human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 3'-carboxy torasemide ChEBI 3-[[3-[[[(isopropylamino)carbonyl]amino]sulfonyl]pyridine-4-yl]amino]benzoic acid ChEBI N-(isopropylcarbamoyl)-4-(3-carboxyphenylamino)-3-pyridinesulfonamide ChEBI torasemide M5 DrugBank torsemide carboxylic acid ChEBI Registry Number Type Source 113844-99-8 CAS Registry Number ChEBI Citations Types Sources 11718311 PubMed citation Europe PMC 1706990 PubMed citation Europe PMC 32302808 PubMed citation Europe PMC 3370063 PubMed citation Europe PMC Last Modified 25 June 2020