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