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> Main
CHEBI:4814 - eprosartan
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ChEBI Ontology
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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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Read full article at Wikipedia
Formula
C23H24N2O4S
Net Charge
0
Average Mass
424.51300
Monoisotopic Mass
424.14568
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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-
[(1
E
)-
2-
carboxy-
3-
(2-
thienyl)prop-
1-
en-
1-
yl]-
1
H
-
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}-
1
H
-
imidazol-
5-
yl]-
2-
(2-
thienyl)methyl-
2-
propenoic acid
Patent
(
E
)-
α{[2-
butyl-
1-
[(4-
carboxyphenyl)methyl]-
1
H
-
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