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

Basic Information

Drug ID DDPD00321 ...
Drug Name Amitriptyline
Molecular Weight 277.4033
Molecular Formula C20H23N
CAS Number 50-48-6
SMILES CN(C)CCC=C1C2=CC=CC=C2CCC2=CC=CC=C12
External Links
DRUGBANK DB00321
T3DB T3D2480
PubChem Compound 2160
PDR 1001
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 4.92 - 4.92 - https://pdfs.semanticscholar.org/6fc5/ceca026da3b93fb450ece63df320b5597ca2.pdf
Boiling Point 410.26 ℃ ~410.26 ℃ https://www.chemicalbook.com/ChemicalProductProperty_US_CB1159271.aspx
Melting Point 196.5 ℃ 196-197 ℃ https://www.chemicalbook.com/ChemicalProductProperty_US_CB1159271.aspx
pKa 9.4 - 9.4 - https://www.chemicalbook.com/ChemicalProductProperty_US_CB1159271.aspx
Log S -4.39 - -4.39 - https://www.acdlabs.com/download/publ/2007/low_quality_predictions.pdf

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Bioavailability 48.0 % 48±11 % PO, oral; Elderly → ; The Pharmacological Basis of Therapeutics
C Max 64.0 ng/ml 64±35 ng/ml adults; The Pharmacological Basis of Therapeutics
T Max 3.6 h 3.6±1.4 h adults; The Pharmacological Basis of Therapeutics
Clearance 39.2 L/h 39.24±10.18 L/h Average clearance; DRUGBANK
Clearance 0.69 L/h/kg 11.5±3.4 ml/min/kg Total clearance; Elderly → ;Somking → ; The Pharmacological Basis of Therapeutics
Clearance 0.37 L/h/kg 6.1 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 1221.0 L 1221±280 L Apparent volume of distribution; intravenous injection, IV; DRUGBANK
Volume of Distribution 15.0 L/kg 15±3 L/kg Steady state volume of distribution; Elderly ↑ ; The Pharmacological Basis of Therapeutics
Volume of Distribution 8.7 L/kg 8.7 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 24.7 h 24.65±6.31(16.49-40.36) h PO, oral; DRUGBANK
Half-life 504.0 h 21±5 day Age ↑ ; The Pharmacological Basis of Therapeutics
Half-life 17.0 h 17 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 350.0 mg/kg 350.0 mg/kg PO, oral; mouse; T3DB
Toxicity TDLo 4.2 mg/kg 4167.0 ug/kg PO, oral; Children; DRUGBANK
Toxicity TDLo 0.71 mg/kg/day 714.0 ug/kg/1D PO, oral; Male, men; DRUGBANK
Toxicity TDLo 10.0 mg/kg 10.0 mg/kg PO, oral;  Female, women; DRUGBANK
Eliminate Route 2.0 % ~2 % Urinary excretion; Unchanged drug; DRUGBANK
Eliminate Route 2.0 % <2 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 95.0 % 95 % DRUGBANK
Protein Binding 94.8 % 94.8±0.8 % Elderly → ;HL,hyperlipoproteinemia ↑ ; The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for adolescents 150.0 mg/day 150 mg/day PO, oral Amitriptyline Hydrochloride amitriptyline hydrochloride PDR
Max dose for adults 150.0 mg/day 150 mg/day PO, oral Amitriptyline Hydrochloride amitriptyline hydrochloride PDR
Max dose for adults 300.0 mg/day 300 mg/day PO, oral Amitriptyline Hydrochloride amitriptyline hydrochloride PDR
Max dose for geriatric 150.0 mg/day 150 mg/day PO, oral Amitriptyline Hydrochloride amitriptyline hydrochloride 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