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
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Formulae C9H9HgNaO2S
C9H9HgO2S.Na
Net Charge 0
Average Mass 404.81233
Monoisotopic Mass 405.993
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): 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): 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).
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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) 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
Database Link Database
D00864 KEGG DRUG
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Registry Numbers Types Sources
1677155 Gmelin Registry Number Gmelin
54-64-8 CAS Registry Number ChemIDplus
8169555 Reaxys Registry Number Reaxys
8169555 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
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Last Modified
08 July 2015