CHEBI:149524 - zolasartan(2−)

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ChEBI Name zolasartan(2−)
ChEBI ID CHEBI:149524
ChEBI ASCII Name zolasartan(2-)
Definition A monocarboxylic acid anion obtained from the deprotonation of the carboxy group and tetrazole NH group of zolasartan. Major microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information eMolecules:1745254, ZINC000000529951
Download Molfile XML SDF
Formula C24H18BrClN6O3
Net Charge -2
Average Mass 553.800
Monoisotopic Mass 552.03233
InChI InChI=1S/C24H20BrClN6O3/c1-2-3-8-18-27-22(26)20(24(33)34)32(18)12-13-9-10-17-16(11-13)19(25)21(35-17)14-6-4-5-7-15(14)23-28-30-31-29-23/h4-7,9-11H,2-3,8,12H2,1H3,(H2,28,29,30,31,33,34)/p-2
InChIKey UKNCIPAJCXMEME-UHFFFAOYSA-L
SMILES C=1(C2=CC=CC=C2C3=NN=N[N-]3)OC=4C=CC(=CC4C1Br)CN5C(=NC(=C5C([O-])=O)Cl)CCCC
ChEBI Ontology
Outgoing zolasartan(2−) (CHEBI:149524) is a monocarboxylic acid anion (CHEBI:35757)
zolasartan(2−) (CHEBI:149524) is conjugate base of zolasartan (CHEBI:149761)
Incoming zolasartan (CHEBI:149761) is conjugate acid of zolasartan(2−) (CHEBI:149524)
IUPAC Name
1-({3-bromo-2-[2-(tetrazol-1-id-5-yl)phenyl]-1-benzofuran-5-yl}methyl)-2-butyl-4-chloro-1H-imidazole-5-carboxylate
Synonym Source
zolasartan UniProt
Citation
Last Modified
19 May 2020