Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00548
|
|||||
| Drug Name |
Ethacrynic acid
|
|||||
| Synonyms |
(2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)acetic acid; (2,3-Dichloro-4-(2-methylenebutyryl)phenoxy)acetic acid; (2,3-Dichloro-4-[2-methylenebutyryl]phenoxy)acetic acid; (4-(2-Methylenebutyryl)-2,3-dichlorophenoxy)acetic acid; 2,3-Dichloro-4(2-methylene-butyryl)phenoxy] acetic acid; 2,3-Dichloro-4-(2-methylenebutyl)phenoxyacetic acid; 2,3-Dichloro-4-(2-methylenebutyryl)phenoxy acetic acid; 2,3-Dichloro-4-(2-methylenebutyryl)phenoxyacetic acid; 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid; Acide etacrynique; Acide etacrynique [INN-French]; Acido etacrinico; Acido etacrinico [INN-Spanish]; Acidum etacrynicum; Acidum etacrynicum [INN-Latin]; Crinuryl; E0526; Edecril; Edecrin; Edecrin (TN); Edecrina; Endecril; Etacrinic acid; Etacrynic Acid; Etacrynic acid (JP15/INN); Etakrinic acid; Ethacrinic acid; Ethacrinique (acide); Ethacryinic Acid; Ethacrynate; Ethacrynic Acid, Sodium Salt; Ethacrynic acid (USP); Ethacrynic acid [USAN:BAN]; Hidromedin; Hydromedin; Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova; Kyselina 4-(2-(1-butenyl)karbonyl)-2,3-dichlorfenoxyoctova [Czech]; Kyselina ethakrynova; Kyselina ethakrynova [Czech]; MK 595; MK-595; Methylenebutyryl phenoxyacetic acid; Methylenebutyrylphenoxyacetic acid; Mingit; Otacril; Reomax; Taladren; Uregit; [2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetic acid; [2,3-Dichloro-4-(2-methylenebutyryl)phenoxy]acetic acid;[2,3-dichloro-4-(2-methylenebutanoyl)phenoxy]acetic acid; [2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid; [4-(2-Methylenebutyryl)-2,3-dichlorophenoxy]acetic acid
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | High blood pressure [ICD11:BA00] | Approved | [1] | |||
| Therapeutic Class |
Diuretics
|
|||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C13H12Cl2O4
|
|||||
| Canonical SMILES |
CCC(=C)C(=O)C1=C(C(=C(C=C1)OCC(=O)O)Cl)Cl
|
|||||
| 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
|
|||||
| CAS Number |
CAS 58-54-8
|
|||||
| Pharmaceutical Properties | Molecular Weight | 303.13 | Topological Polar Surface Area | 63.6 | ||
| Heavy Atom Count | 19 | Rotatable Bond Count | 6 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 4 | |||
| XLogP |
3.8
|
|||||
| PubChem CID | ||||||
| PubChem SID |
10321631
,11112144
,11336075
,11361314
,11363707
,11366269
,11368831
,11371330
,11374346
,11376993
,11446250
,11462286
,11466287
,11467407
,11483790
,11486033
,11487913
,11490241
,11492359
,11494627
,122995
,14776240
,17389016
,24894577
,26611737
,26680116
,26706137
,26746983
,26746984
,29222417
,46392033
,46394202
,46507562
,47662347
,47736552
,47959820
,47959821
,47959822
,48110508
,48185057
,48423385
,491575
,5208062
,7847379
,7887267
,798369
,8149337
,8152080
,834701
,855762
|
|||||
| ChEBI ID |
ChEBI:4876
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | MRP1 | Transporter Info | Multidrug resistance-associated protein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Ethacrynic acid was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Inhibition of the multidrug resistance protein 1 (MRP1) by peptidomimetic glutathione-conjugate analogs. Mol Pharmacol. 2002 Nov;62(5):1160-6. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.