Basic Information

Drug ID DDPD08604 ...
Drug Name Triclosan
Molecular Weight 289.542
Molecular Formula C12H7Cl3O2
CAS Number 3380-34-5
SMILES OC1=CC(Cl)=CC=C1OC1=C(Cl)C=C(Cl)C=C1
External Links
DRUGBANK DB08604
T3DB T3D3939
PubChem Compound 5564

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Boiling Point 120.0 120 MSDS
Melting Point 56.0 55-57 MSDS
pKa 7.9 - 7.9 - Merck Index 12:3, 2000

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
T Max 3.0 h 3 h PO, oral; DRUGBANK
Half-life 21.0 h 21 h terminal half-life; DRUGBANK
Toxicity LD50 3700.0 mg/kg 3700.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Toxicity LD50 9300.0 mg/kg 9300.0 mg/kg skin/dermal; DRUGBANK
Toxicity LD50 3700.0 mg/kg 3700.0 mg/kg PO, oral; Rattus, Rat; T3DB
Toxicity LD50 9300.0 mg/kg 9300.0 mg/kg skin/dermal; rabbit; T3DB
Eliminate Route 12.0 % 12 % Faeces excretion; mouse; 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