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CHEBI:748334 - sodium dichloroacetate
| Formula | Na.C2HCl2O2 |
| Net Charge | 0 |
| Average Mass | 150.924 |
| Monoisotopic Mass | 149.92513 |
| SMILES | O=C([O-])C(Cl)Cl.[Na+] |
| InChI | InChI=1S/C2H2Cl2O2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1 |
| InChIKey | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Applications: | antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| sodium dichloroacetate (CHEBI:748334) has role antihypertensive agent (CHEBI:35674) |
| sodium dichloroacetate (CHEBI:748334) has role antineoplastic agent (CHEBI:35610) |
| sodium dichloroacetate (CHEBI:748334) has role cardiovascular drug (CHEBI:35554) |
| sodium dichloroacetate (CHEBI:748334) is a carboxylic acid (CHEBI:33575) |
| sodium dichloroacetate (CHEBI:748334) is a organohalogen compound (CHEBI:17792) |
| Synonyms | Source |
|---|---|
| CMI X-11S | ChEMBL |
| CPC-211 | ChEMBL |
| DCA | ChEMBL |
| Dca sodium | ChEMBL |
| NSC-744479 | ChEMBL |
| Citations |
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