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Biological and Environmental Research Ontology
Last uploaded:
December 23, 2022
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| Preferred Name | eplerenone | |
| Synonyms |
Epoxymexrenone Inspra eplerenone 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone Eplerenone |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_31547 |
|
| alternative term |
Epoxymexrenone Inspra eplerenone 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone Eplerenone
|
|
| bearer of | ||
| charge |
0
|
|
| database_cross_reference |
Wikipedia:Eplerenone KEGG:D01115 DrugBank:DB00700 Drug_Central:1032 KEGG:C12512 CAS:107724-20-9
|
|
| formula |
C24H30O6
|
|
| has_exact_synonym |
7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone Eplerenone
|
|
| has_obo_namespace |
chebi_ontology
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|
| has_parent_hydride | ||
| has_related_synonym |
Epoxymexrenone Inspra eplerenone
|
|
| id |
CHEBI:31547
|
|
| in_subset | ||
| 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
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|
| label |
eplerenone
|
|
| mass |
414.49140
|
|
| monoisotopicmass |
414.20424
|
|
| notation |
CHEBI:31547
|
|
| prefLabel |
eplerenone
|
|
| RO_0000087 | ||
| 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
|
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_38164 http://purl.obolibrary.org/obo/CHEBI_145217 http://purl.obolibrary.org/obo/CHEBI_47887 http://purl.obolibrary.org/obo/CHEBI_37948 http://purl.obolibrary.org/obo/CHEBI_25248 |
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