Basic Information

Drug ID DDPD11590 ...
Drug Name Thimerosal
Molecular Weight 404.81
Molecular Formula C9H9HgNaO2S
CAS Number 54-64-8
SMILES [Na+].CC[Hg]SC1=CC=CC=C1C([O-])=O
External Links
DRUGBANK DB11590
PubChem Compound 16684434

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Boiling Point 357.3 357.3 https://www.canada.ca/en/environment-climate-change/services/pollutants/mercury-environment/about/chemical-properties.html
Melting Point -38.87 -38.87 http://scorecard.goodguide.com/chemical-profiles/html/mercury.html
Water Solubility 1000000.0 mg/L 1 g/ml https://www.sigmaaldrich.com/content/dam/sigma-aldrich/docs/Sigma/Product_Information_Sheet/1/t5125pis.pdf

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
Absorption 0.0100 % <0.01 % Rattus, Rat; DRUGBANK
Volume of Distribution 266.0 L 266.0 L DRUGBANK
Half-life 211.2 h 8.8 day DRUGBANK
Half-life 256.8 h 10.7 day DRUGBANK
Half-life 187.2 h 7.8 day DRUGBANK
Half-life 184.8 h 7.7 day DRUGBANK
Half-life 1084.8 h 45.2 day DRUGBANK
Half-life 1200.0 h ~50 day human, homo sapiens; DRUGBANK
Toxicity LD50 75.0 mg/kg 75.0 mg/kg PO, oral; mouse; DRUGBANK
Toxicity LD50 91.0 mg/kg 91.0 mg/kg PO, oral; mouse; DRUGBANK
Protein Binding 97.0 % 95-99 % DRUGBANK

Maximum Dosage

Not Available

Drug Property Radar Chart

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Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1