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CHEBI:4814 - eprosartan

ChEBI IDCHEBI:4814
ChEBI Nameeprosartan
Stars
DefinitionA member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure.
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H24N2O4S
Net Charge0
Average Mass424.522
Monoisotopic Mass424.14568
SMILESCCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1
InChIInChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
InChIKeyOROAFUQRIXKEMV-LDADJPATSA-N
Wikipedia
Roles Classification
Chemical Roles:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
angiotensin receptor antagonist  A hormone antagonist that blocks angiotensin receptors.
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Applications:
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
angiotensin receptor antagonist  A hormone antagonist that blocks angiotensin receptors.
ChEBI Ontology
Outgoing Relation(s)
eprosartan (CHEBI:4814) has role angiotensin receptor antagonist (CHEBI:61016)
eprosartan (CHEBI:4814) has role antihypertensive agent (CHEBI:35674)
eprosartan (CHEBI:4814) has role environmental contaminant (CHEBI:78298)
eprosartan (CHEBI:4814) has role xenobiotic (CHEBI:35703)
eprosartan (CHEBI:4814) is a dicarboxylic acid (CHEBI:35692)
eprosartan (CHEBI:4814) is a imidazoles (CHEBI:24780)
eprosartan (CHEBI:4814) is a thiophenes (CHEBI:26961)
Incoming Relation(s)
eprosartan methanesulfonate (CHEBI:48409) has part eprosartan (CHEBI:4814)
IUPAC Name 
4-({2-butyl-5-[(1E)-2-carboxy-3-(2-thienyl)prop-1-en-1-yl]-1H-imidazol-1-yl}methyl)benzoic acid
INN  Source
eprosartanChemIDplus
Synonyms  Source
EprosartanKEGG COMPOUND
(E)-α{[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazole-5-yl]methylene}-2-thiopheneproprionic acidIUPHAR
(E)-2-butyl-1-(p-carboxybenzyl)-α-2-thenylimidazole-5-acrylic acidChemIDplus
(E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acidPatent
Manual XrefsDatabases
C07467KEGG COMPOUND
DB00876DrugBank
D04040KEGG DRUG
EP403159Patent
US5185351Patent
EprosartanWikipedia
1037DrugCentral
Registry NumbersSources
Reaxys:4338002Reaxys
CAS:133040-01-4KEGG COMPOUND
CAS:133040-01-4ChemIDplus