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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:31547 - eplerenone
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ChEBI Ontology
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ChEBI Name
eplerenone
ChEBI ID
CHEBI:31547
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C24H30O6
Net Charge
0
Average Mass
414.49140
Monoisotopic Mass
414.20424
InChI
InChI=1S/C24H30O6/c1-
21-
7-
4-
14(25)
10-
13(21)
11-
15(20(27)
28-
3)
19-
16-
5-
8-
23(9-
6-
18(26)
30-
23)
22(16,2)
12-
17-
24(19,21)
29-
17/h10,15-
17,19H,4-
9,11-
12H2,1-
3H3/t15-
,16+,17-
,19+,21+,22+,23-
,24-
/m1/s1
InChIKey
JUKPWJGBANNWMW-VWBFHTRKSA-N
SMILES
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
Roles Classification
Biological Role
(s):
aldosterone antagonist
A compound which inhibits or antagonizes the biosynthesis or actions of aldosterone.
Application
(s):
aldosterone antagonist
A compound which inhibits or antagonizes the biosynthesis or actions of aldosterone.
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
eplerenone (
CHEBI:31547
)
has parent hydride
pregnane (
CHEBI:8386
)
eplerenone (
CHEBI:31547
)
has role
aldosterone antagonist (
CHEBI:50844
)
eplerenone (
CHEBI:31547
)
has role
antihypertensive agent (
CHEBI:35674
)
eplerenone (
CHEBI:31547
)
is a
γ-lactone (
CHEBI:37581
)
eplerenone (
CHEBI:31547
)
is a
3-oxo-Δ
4
steroid (
CHEBI:47909
)
eplerenone (
CHEBI:31547
)
is a
epoxy steroid (
CHEBI:145217
)
eplerenone (
CHEBI:31547
)
is a
methyl ester (
CHEBI:25248
)
eplerenone (
CHEBI:31547
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
eplerenone (
CHEBI:31547
)
is a
oxaspiro compound (
CHEBI:37948
)
eplerenone (
CHEBI:31547
)
is a
steroid acid ester (
CHEBI:47887
)
IUPAC Name
7α-methoxycarbonyl-3-oxo-9,11α-epoxy-17α-pregn-4-ene-21,17-carbolactone
INN
Source
eplerenone
KEGG DRUG
Synonyms
Sources
Eplerenone
KEGG COMPOUND
Epoxymexrenone
ChemIDplus
Brand Name
Source
Inspra
DrugBank
Manual Xrefs
Databases
1032
DrugCentral
C12512
KEGG COMPOUND
D01115
KEGG DRUG
DB00700
DrugBank
Eplerenone
Wikipedia
View more database links
Registry Numbers
Types
Sources
107724-20-9
CAS Registry Number
KEGG COMPOUND
107724-20-9
CAS Registry Number
ChemIDplus
Last Modified
28 October 2019