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CHEBI:145224 - O-desethyl candesartan
| Formula | C22H16N6O3 |
| Net Charge | 0 |
| Average Mass | 412.409 |
| Monoisotopic Mass | 412.12839 |
| SMILES | O=C(O)c1cccc2nc(=O)n(Cc3ccc(-c4ccccc4-c4nnnn4)cc3)c12 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| blood plasma (BTO_0000131) | PubMed (10510797) | ||
| urine (BTO:0001419) | PubMed (10510797) |
| Roles Classification |
|---|
| Chemical Role: | 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 blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| CV-15959 | ChemIDplus |
| CV 15959 | ChemIDplus |
| O-deethylated candesartan | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0013842 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:168434-02-4 | ChemIDplus |
| Citations |
|---|