CHEBI:145224 - O-desethyl candesartan

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ChEBI Name O-desethyl candesartan ChEBI ID CHEBI:145224 ChEBI ASCII Name O-desethyl candesartan Definition A benzimidazolecarboxylic acid that is candesartan in which the ethoxy group has been replaced by a hydroxy group. It is the inactive metabolite of the anti-hypertensive drug, candesartan. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams 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 C22H16N6O3 Net Charge 0 Average Mass 412.409 Monoisotopic Mass 412.12839 InChI InChI=1S/C22H16N6O3/c29-21(30)17-6-3-7-18-19(17)28(22(31)23-18)12-13-8-10-14(11-9-13)15-4-1-2-5-16(15)20-24-26-27-25-20/h1-11H,12H2,(H,23,31)(H,29,30)(H,24,25,26,27) InChIKey KLCPKPIDOPBIQW-UHFFFAOYSA-N SMILES C1(=CC=C(C=C1)CN2C3=C(C(=O)O)C=CC=C3NC2=O)C=4C=CC=CC4C5=NN=NN5 Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO_0000131). See: PubMed Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Biological Role(s): drug metabolite human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. View more via ChEBI Ontology ChEBI Ontology Outgoing O-desethyl candesartan (CHEBI:145224) has role drug metabolite (CHEBI:49103) O-desethyl candesartan (CHEBI:145224) has role human blood serum metabolite (CHEBI:85234) O-desethyl candesartan (CHEBI:145224) has role human urinary metabolite (CHEBI:84087) O-desethyl candesartan (CHEBI:145224) is a benzimidazolecarboxylic acid (CHEBI:35688) O-desethyl candesartan (CHEBI:145224) is a biphenylyltetrazole (CHEBI:48420) IUPAC Name 2-oxo-3-{[2'-(1H-tetrazol-5-yl)[biphenyl]-4-yl]methyl}-2,3-dihydro-1H-benzimidazole-4-carboxylic acid Synonyms Sources CV 15959 ChemIDplus CV-15959 ChemIDplus O-deethylated candesartan HMDB Manual Xref Database HMDB0013842 HMDB View more database links Registry Number Type Source 168434-02-4 CAS Registry Number ChemIDplus Citations Types Sources 10383542 PubMed citation Europe PMC 10510797 PubMed citation Europe PMC 11825094 PubMed citation Europe PMC 8548019 PubMed citation Europe PMC 9331000 PubMed citation Europe PMC 9331004 PubMed citation Europe PMC Last Modified 12 November 2019