Basic Information Experimental Physicochemical Property Pharmacokinetic/Toxicokinetic Property Maximum Dosage Drug Property Radar Chart

Basic Information

Drug ID DDPD00215 ...
Drug Name Citalopram
Molecular Weight 324.3919
Molecular Formula C20H21FN2O
CAS Number 59729-33-8
SMILES CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
External Links
DRUGBANK DB00215
T3DB T3D2715
PubChem Compound 2771
PDR 1325
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 3.76 - 3.76 - http://www.t3db.ca/toxins/T3D2715
Boiling Point 352.5 ℃ 347-358 ℃ http://datasheets.scbt.com/sc-201123.pdf
Melting Point 185.0 ℃ 182-188 ℃ https://www.chemicalbook.com/ChemicalProductProperty_US_CB2736240.aspx
pKa 9.78 - 9.78 - http://www.t3db.ca/toxins/T3D2715
Log S -4.7 - -4.7 - http://www.t3db.ca/toxins/T3D2715

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Bioavailability 80.0 % 80.0 % Oral single dose; food; food → ; DRUGBANK
Bioavailability 80.0 % 80±13 % PO, oral; Drug form; The Pharmacological Basis of Therapeutics
C Max 50.0 ng/ml 50±9 ng/ml Oral single dose; Drug form; The Pharmacological Basis of Therapeutics
C Max 21.0 ng/ml 21±4 ng/ml Oral single dose; Drug form; The Pharmacological Basis of Therapeutics
T Max 4.0 h 4 h Oral single dose; food; food → ; DRUGBANK
T Max 4.5 h 4-5 h Oral single dose; Drug form; The Pharmacological Basis of Therapeutics
T Max 4.5 h 4-5 h Oral single dose; Drug form; The Pharmacological Basis of Therapeutics
Clearance 19.8 L/h 330.0 ml/min Total clearance; DRUGBANK
Clearance 0.26 L/h/kg 4.3±1.2 ml/min/kg hydrolysis; Elderly ↓ ;Hepatitis, Hep ↓ ; The Pharmacological Basis of Therapeutics
Clearance 0.53 L/h/kg 8.8±3.2 ml/min/kg apparent clearance; hydrolysis; Elderly ↓ ;Hepatitis, Hep ↓ ; The Pharmacological Basis of Therapeutics
Clearance 0.26 L/h/kg 4.3 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 12.0 L/kg 12.0 L/kg DRUGBANK
Volume of Distribution 12.3 L/kg 12.3±2.3 L/kg The Pharmacological Basis of Therapeutics
Volume of Distribution 15.4 L/kg 15.4±2.4 L/kg Apparent volume of distribution; The Pharmacological Basis of Therapeutics
Volume of Distribution 12.0 L/kg 12 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 35.0 h ~35 h DRUGBANK
Half-life 33.0 h 33±4 h Raceme D/L; CYP2C19; chronic liver disease ↑ ;moderate renal function ↑ ;Age ↑ ; The Pharmacological Basis of Therapeutics
Half-life 22.0 h 22±6 h CYP2C19; chronic liver disease ↑ ;moderate renal function ↑ ;Age ↑ ; The Pharmacological Basis of Therapeutics
Half-life 33.0 h 33 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 56.0 mg/kg 56.0 mg/kg PO, oral; human, homo sapiens; DRUGBANK
Toxicity LD50 179.0 mg/kg 179.0 mg/kg Intraperitoneal, IP; mouse; DRUGBANK
Eliminate Route 17.5 % 12-23 % Urinary excretion; PO, oral; Unchanged drug; DRUGBANK
Eliminate Route 10.0 % 10 % Faeces excretion; PO, oral; Unchanged drug; DRUGBANK
Eliminate Route 10.5 % 10.5±1.4 % Urinary excretion; Raceme D/L; Unchanged drug; The Pharmacological Basis of Therapeutics
Eliminate Route 8.0 % 8 % Urinary excretion; Raceme D; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 80.0 % 80 % plasma proteins; DRUGBANK
Protein Binding 80.0 % 80 % Raceme D/L; The Pharmacological Basis of Therapeutics
Protein Binding 56.0 % 56 % Raceme D; 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 40.0 mg/day 40 mg/day PO, oral Celexa citalopram hydrobromide PDR
Max dose for children 20.0 mg/day 20 mg/day PO, oral Celexa citalopram hydrobromide PDR
Max dose for adolescents 40.0 mg/day 40 mg/day PO, oral Celexa citalopram hydrobromide PDR
Max dose for adolescents 20.0 mg/day 20 mg/day PO, oral Celexa citalopram hydrobromide PDR
Max dose for adults 40.0 mg/day 40 mg/day PO, oral Celexa citalopram hydrobromide PDR
Max dose for adults 20.0 mg/day 20 mg/day PO, oral Celexa citalopram hydrobromide PDR
Max dose for adults 20.0 mg/day 20 mg/day PO, oral Celexa citalopram hydrobromide PDR
Max dose for geriatric 20.0 mg/day 20 mg/day PO, oral Celexa citalopram hydrobromide 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