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CHEBI:9546 - thimerosal
| Formula | C9H9HgO2S.Na |
| Net Charge | 0 |
| Average Mass | 404.816 |
| Monoisotopic Mass | 405.99274 |
| SMILES | C[CH2][Hg][S]c1ccccc1C(=O)[O-].[Na+] |
| InChI | InChI=1S/C7H6O2S.C2H5.Hg.Na/c8-7(9)5-3-1-2-4-6(5)10;1-2;;/h1-4,10H,(H,8,9);1H2,2H3;;/q;;2*+1/p-2 |
| InChIKey | RTKIYNMVFMVABJ-UHFFFAOYSA-L |
| Roles Classification |
|---|
| Biological Roles: | drug allergen Any drug which causes the onset of an allergic reaction. disinfectant An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity. antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. |
| Applications: | drug allergen Any drug which causes the onset of an allergic reaction. antiseptic drug A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body). antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| thimerosal (CHEBI:9546) has part ethylmercurithiosalicylate (CHEBI:33215) |
| thimerosal (CHEBI:9546) has role antifungal drug (CHEBI:86327) |
| thimerosal (CHEBI:9546) has role antiseptic drug (CHEBI:48218) |
| thimerosal (CHEBI:9546) has role disinfectant (CHEBI:48219) |
| thimerosal (CHEBI:9546) has role drug allergen (CHEBI:88188) |
| thimerosal (CHEBI:9546) is a alkylmercury compound (CHEBI:33255) |
| IUPAC Names |
|---|
| sodium [(2-carboxylatophenyl)sulfanyl](ethyl)mercurate(1−) |
| sodium ethyl[2-(sulfanyl-κS)benzoato(2−)]mercurate(1−) |
| INNs | Source |
|---|---|
| thiomersal | ChEBI |
| thiomersalum | ChemIDplus |
| tiomersal | ChemIDplus |
| Synonyms | Source |
|---|---|
| [(o-carboxyphenyl)thio]ethylmercury sodium salt | ChemIDplus |
| o-(ethylmercurithio)benzoic acid sodium salt | ChemIDplus |
| ethyl(2-mercaptobenzoato-S)mercury sodium salt | ChemIDplus |
| ethylmercurithiosalicylate sodium | ChemIDplus |
| ethylmercurithiosalicylic acid sodium salt | ChEBI |
| mercurothiolate | ChemIDplus |
| Citations |
|---|