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CHEBI:149509 - candesartan(2−)

ChEBI IDCHEBI:149509
ChEBI Namecandesartan(2−)
Stars
ASCII Namecandesartan(2-)
DefinitionA monocarboxylic acid anion resulting from the deprotonation of the tetrazole NH group and carboxy group of candesartan. It is the major species at pH 7.3.
Last Modified13 May 2020
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC24H18N6O3
Net Charge-2
Average Mass438.447
Monoisotopic Mass438.14514
SMILESCCOc1nc2cccc(C(=O)[O-])c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1
InChIInChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H2,26,27,28,29,31,32)/p-2
InChIKeyBSLSLQSFLOCXQQ-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
candesartan(2−) (CHEBI:149509) is a monocarboxylic acid anion (CHEBI:35757)
candesartan(2−) (CHEBI:149509) is conjugate base of candesartan (CHEBI:3347)
Incoming Relation(s)
candesartan (CHEBI:3347) is conjugate acid of candesartan(2−) (CHEBI:149509)
IUPAC Name 
2-ethoxy-1-{[2'-(tetrazol-1-id-5-yl)[biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carboxylate
UniProt Name  Source
candesartanUniProt
Citations