CHEBI:9546 - thimerosal

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ChEBI Name thimerosal
ChEBI ID CHEBI:9546
Definition An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formulae C9H9HgNaO2S
C9H9HgO2S.Na
Net Charge 0
Average Mass 404.81233
Monoisotopic Mass 405.99274
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
SMILES [Na+].CC[Hg]Sc1ccccc1C([O-])=O
Roles Classification
Biological Role(s): drug allergen
Any drug which causes the onset of an allergic reaction.
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.
Application(s): drug allergen
Any drug which causes the onset of an allergic reaction.
antifungal drug
Any antifungal agent used to prevent or treat fungal infections in humans or animals.
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
thiomersal ChEBI
thiomersalum ChemIDplus
tiomersal ChemIDplus
Synonyms Sources
[(o-carboxyphenyl)thio]ethylmercury sodium salt ChemIDplus
ethyl(2-mercaptobenzoato-S)mercury sodium salt ChemIDplus
ethylmercurithiosalicylate sodium ChemIDplus
ethylmercurithiosalicylic acid sodium salt ChEBI
mercurothiolate ChemIDplus
Merthiolate KEGG COMPOUND
o-(ethylmercurithio)benzoic acid sodium salt ChemIDplus
sodium ethylmercurithiosalicylate ChemIDplus
sodium merthiolate ChEBI
Thimerosal KEGG COMPOUND
Thiomersal ChemIDplus
thiomersalate ChemIDplus
Manual Xrefs Databases
3062 PPDB
3062 VSDB
D00864 KEGG DRUG
View more database links
Registry Numbers Types Sources
1677155 Gmelin Registry Number Gmelin
54-64-8 CAS Registry Number ChemIDplus
8169555 Reaxys Registry Number Reaxys
Citations
Last Modified
12 March 2019