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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: | antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. disinfectant An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity. drug allergen Any drug which causes the onset of an allergic reaction. anti-HBV agent An antiviral agent that destroys or inhibits the replication of the hepatitis B virus. |
| Applications: | antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. 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). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| thimerosal (CHEBI:9546) has part ethylmercurithiosalicylate (CHEBI:33215) |
| thimerosal (CHEBI:9546) has role anti-HBV agent (CHEBI:64951) |
| 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 |
| Ethylmercury sodium salt | ChEMBL |
| Citations |
|---|