CHEBI:4814 - eprosartan

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ChEBI Name eprosartan
ChEBI ID CHEBI:4814
Definition A member of the class of imidazoles and thiophenes that is an angiotensin II receptor antagonist used for the treatment of high blood pressure.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H24N2O4S
Net Charge 0
Average Mass 424.51300
Monoisotopic Mass 424.146
InChI InChI=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+
InChIKey OROAFUQRIXKEMV-LDADJPATSA-N
SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O
Roles Classification
Chemical Role(s): 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 (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
Application(s): angiotensin receptor antagonist
A hormone antagonist that blocks angiotensin receptors.
antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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ChEBI Ontology
Outgoing 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 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
eprosartan ChemIDplus
Synonyms Sources
(E)-2-butyl-1-(p-carboxybenzyl)-α-2-thenylimidazole-5-acrylic acid ChemIDplus
(E)-3-[2-n-butyl-1-{(4-carboxyphenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid Patent
(E)-α{[2-butyl-1-[(4-carboxyphenyl)methyl]-1H-imidazole-5-yl]methylene}-2-thiopheneproprionic acid IUPHAR
Eprosartan KEGG COMPOUND
Manual Xrefs Databases
1037 DrugCentral
C07467 KEGG COMPOUND
D04040 KEGG DRUG
DB00876 DrugBank
EP403159 Patent
Eprosartan Wikipedia
US5185351 Patent
View more database links
Registry Numbers Types Sources
133040-01-4 CAS Registry Number KEGG COMPOUND
133040-01-4 CAS Registry Number ChemIDplus
4338002 Reaxys Registry Number Reaxys
4338002 Beilstein Registry Number Beilstein
Last Modified
22 February 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag