Basic Information

Drug ID DDPD11823 ...
Drug Name Esketamine
Molecular Weight 237.73
Molecular Formula C13H16ClNO
CAS Number 33643-46-8
SMILES CN[C@@]1(CCCCC1=O)C1=CC=CC=C1Cl
External Links
DRUGBANK DB11823
PubChem Compound 182137
PDR 24300

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 3.2887 - 3.2887 - https://www.chemsrc.com/en/cas/33643-46-8_146615.html
Boiling Point 363.8 363.8 https://www.chemsrc.com/en/cas/33643-46-8_146615.html
Melting Point 92.5 92.5 http://pharmacycode.com/Esketamine.html
pKa 7.5 - 7.5 - https://edoc.unibas.ch/1310/1/20110314_1408_DissCB_e_version.pdf

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Reference
Bioavailability 48.0 % 48 % nasal spray; DRUGBANK
T Max 0.50 h 20-40 min nasal spray; DRUGBANK
Clearance 89.0 L/h 89.0 L/h Average clearance; intravenous injection, IV; DRUGBANK
Volume of Distribution 709.0 L 709.0 L Apparent volume of distribution; intravenous injection, IV; DRUGBANK
Half-life 9.5 h 7-12 h terminal half-life; DRUGBANK
Toxicity LD50 447.0 mg/kg 447.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Eliminate Route 78.0 % ≥78 % Urinary excretion; PO, oral; intravenous injection, IV; DRUGBANK
Eliminate Route 2.0 % ≤2 % Faeces excretion; PO, oral; intravenous injection, IV; DRUGBANK
Eliminate Route 1.0 % <1 % Unchanged drug; DRUGBANK
Protein Binding 44.0 % 43-45 % DRUGBANK

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Frequency Brand Name Component Reference
Max dose for infants 0.0 0 Spravato esketamine hydrochloride PDR
Max dose for adults 84.0 mg 84 mg intranasal biw Spravato esketamine hydrochloride PDR
Max dose for geriatric 84.0 mg 84 mg intranasal biw Spravato esketamine 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