Basic Information

Drug ID DDPD01224 ...
Drug Name Quetiapine
Molecular Weight 383.507
Molecular Formula C21H25N3O2S
CAS Number 111974-69-7
SMILES OCCOCCN1CCN(CC1)C1=NC2=CC=CC=C2SC2=CC=CC=C12
External Links
DRUGBANK DB01224
T3DB T3D2555
PubChem Compound 5002
PDR 2185
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 2.81 - 2.81 - http://www.t3db.ca/toxins/T3D2555
Boiling Point 556.5 556.5±60.0 http://www.chemspider.com/Chemical-Structure.4827.html
Melting Point 175.0 174-176 https://www.chemicalbook.com/ChemicalProductProperty_US_CB9270451.aspx
pKa 7.06 - 7.06 - http://www.t3db.ca/toxins/T3D2555
Log S -4.0 - -4.0 - http://www.t3db.ca/toxins/T3D2555

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
AUC 5094.0 ng.h/ml 5094.0 ng.h/ml PO, oral; extended release formulation; DRUGBANK
Bioavailability 100.0 % 100 % Tablet, PO, oral; DRUGBANK
Bioavailability 9.0 % 9.0 % PO, oral; The Pharmacological Basis of Therapeutics
C Max 467.0 ng/ml 467 ng/ml PO, oral; extended release formulation; DRUGBANK
C Max 278.0 ng/ml 278.0 ng/ml PO, oral; schizophrenia; The Pharmacological Basis of Therapeutics
T Max 1.5 h 1.5 h PO, oral; DRUGBANK
T Max 1.4 h 1-1.8 h The Pharmacological Basis of Therapeutics
Tss 48.0 h 48 h PO, oral; DRUGBANK
Clearance 101.0 L/h 101.04±39.11 L/h normal,healthy; fasting; Geriatric ↓ ; DRUGBANK
Clearance 1.1 L/h/kg 19.0 ml/min/kg Elderly ↓ ;hepatopathy,LD ↓ ;RD, renal impairment, Renal disease,including uremia → ; The Pharmacological Basis of Therapeutics
Volume of Distribution 10.0 L/kg 10±4 L/kg Apparent volume of distribution; DRUGBANK
Volume of Distribution 10.0 L/kg 10±4 L/kg The Pharmacological Basis of Therapeutics
Half-life 6.5 h ~6-7 h terminal half-life; DRUGBANK
Half-life 6.0 h 6.0 h The Pharmacological Basis of Therapeutics
Toxicity LD50 2000.0 mg/kg 2000.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Eliminate Route 73.0 % ~73 % Urinary excretion; DRUGBANK
Eliminate Route 20.0 % ~20 % Faeces excretion; DRUGBANK
Eliminate Route 1.0 % <1 % Urinary excretion; PO, oral; Unchanged drug; DRUGBANK
Eliminate Route 1.0 % <1 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 83.0 % 83 % DRUGBANK
Protein Binding 83.0 % 83 % The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for children 600.0 mg/day 600 mg/day PO, oral Seroquel quetiapine fumarate PDR
Max dose for adolescents 800.0 mg/day 800 mg/day PO, oral Seroquel quetiapine fumarate PDR
Max dose for adults 800.0 mg/day 800 mg/day PO, oral Seroquel quetiapine fumarate PDR
Max dose for geriatric 500.0 mg/day 500 mg/day PO, oral Seroquel quetiapine fumarate PDR

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