DETAILS

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

Basic Information

Drug ID	DDPD00402
Drug Name	Eszopiclone
Molecular Weight	388.808
Molecular Formula	C17H17ClN6O3
CAS Number	138729-47-2
SMILES	CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1
External Links
	DRUGBANK	DB00402
	T3DB	T3D4552
	PubChem Compound	969472
	PDR	2082

Experimental Physicochemical Property

Property Name	Property Value	Unit	Raw Value	Raw Unit	Reference
Log P	0.81	-	0.81	-	http://www.t3db.ca/toxins/T3D4552
Boiling Point	487.2	℃	487.2	℃	https://www.lookchem.com/Timolol/
Melting Point	202.5	℃	202-203	℃	https://www.chemicalbook.com/ChemicalProductProperty_EN_CB3711352.htm
pKa	9.2	-	9.2	-	DRUGBANK

Pharmacokinetic/ Toxicokinetic Property

Property Name	Property Value	Unit	Raw Value	Raw Unit	Annotation	Factor	Reference
AUC	278.0	ng.h/ml	278.0	ng.h/ml	PO, oral;		DRUGBANK
T Max	1.0	h	1	h	PO, oral;		DRUGBANK
Tss	36.0	h	24-48	h	PO, oral;		DRUGBANK
Clearance	11.0	L/h	184.0	ml/min	Average clearance; normal,healthy; young;		DRUGBANK
Volume of Distribution	89.9	L	89.9	L			DRUGBANK
Half-life	6.1	h	6.1	h	normal,healthy; patients;	hepatopathy，LD ↑ ;Elderly ↑ ;	DRUGBANK
Toxicity LD50	980.0	mg/kg	980.0	mg/kg	PO, oral; Rattus, Rat;		DRUGBANK
Toxicity LD50	3200.0	mg/kg	3200.0	mg/kg	PO, oral; rabbit;		DRUGBANK
Eliminate Route	10.0	%	~10	%	Urinary excretion;		DRUGBANK
Protein Binding	55.5	%	52-59	%	plasma proteins;		DRUGBANK

Maximum Dosage

Property Name	Property Value	Unit	Raw Value	Raw Unit	Annotation	Brand Name	Component	Reference
Max dose for adults	3.0	mg/day	3	mg/day	PO, oral	Lunesta	eszopiclone	PDR
Max dose for geriatric	2.0	mg/day	2	mg/day	PO, oral	Lunesta	eszopiclone	PDR

Drug Property Radar Chart

Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1