loading...| Preferred Name |
etacrynic acid |
|
| Synonyms |
[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid Crinuryl Edecrina acido etacrinico Endecril Ethacrynate Hidromedin Reomax acide etacrynique Taladren Methylenebutyrylphenoxyacetic acid Uregit ethacrynic acid etacrynic acid Mingit (2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)acetic acid acidum etacrynicum Etacrinic acid Edecril Hydromedin Otacril |
|
| Definitions |
An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4876 |
|
| charge |
0 |
|
| database_cross_reference |
PDBeChem:EAA Reaxys:1915060 LINCS:LSM-3420 HMDB:HMDB0015039 KEGG:D00313 CAS:58-54-8 Beilstein:1915060 DrugBank:DB00903 Wikipedia:Etacrynic_acid Drug_Central:1071 PMID:7932170 |
|
| definition |
An aromatic ether that is phenoxyacetic acid in which the phenyl ring is substituted by chlorines at positions 2 and 3, and by a 2-methylidenebutanoyl group at position 4. It is a loop diuretic used to treat high blood pressure resulting from diseases such as congestive heart failure, liver failure, and kidney failure. It is also a glutathione S-transferase (EC 2.5.1.18) inhibitor. |
|
| formula |
C13H12Cl2O4 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_76797 |
|
| has_exact_synonym |
[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Crinuryl Edecrina acido etacrinico Endecril Ethacrynate Hidromedin Reomax acide etacrynique Taladren Methylenebutyrylphenoxyacetic acid Uregit ethacrynic acid etacrynic acid Mingit (2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)acetic acid acidum etacrynicum Etacrinic acid Edecril Hydromedin Otacril |
|
| id |
CHEBI:4876 |
|
| in_subset | ||
| inchi |
InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17) |
|
| inchikey |
AVOLMBLBETYQHX-UHFFFAOYSA-N |
|
| label |
etacrynic acid |
|
| mass |
303.13800 |
|
| monoisotopicmass |
302.01126 |
|
| notation |
CHEBI:4876 |
|
| prefLabel |
etacrynic acid |
|
| smiles |
CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_76224 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_76224 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.obolibrary.org/obo/CHEBI_4876 | PDRO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_4876 | DINTO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_4876 | BERO | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_4876 | BIOMODELS | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_4876 | DRON | SAME_URI | |
| http://purl.obolibrary.org/obo/CHEBI_4876 | NIFSTD | SAME_URI | |
| http://purl.bioontology.org/ontology/ATC/C03CC01 | ATC | LOOM | |
| https://go.drugbank.com/drugs/DB00903 | MDM | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_4876 | BERO | LOOM | |
| http://purl.obolibrary.org/obo/CHEBI_4876 | NIFSTD | LOOM |