DETAILS

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

Basic Information

Drug ID	DDPD00293
Drug Name	Raltitrexed
Molecular Weight	458.488
Molecular Formula	C21H22N4O6S
CAS Number	112887-68-0
SMILES	CN(CC1=CC2=C(NC(C)=NC2=O)C=C1)C1=CC=C(S1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
External Links
	DRUGBANK	DB00293
	PubChem Compound	104758

Experimental Physicochemical Property

Property Name	Property Value	Unit	Raw Value	Raw Unit	Reference
Log P	-1.2	-	-1.2	-	DRUGBANK
Melting Point	182.0	℃	180-184	℃	DRUGBANK

Pharmacokinetic/ Toxicokinetic Property

Property Name	Property Value	Unit	Raw Value	Raw Unit	Annotation	Reference
Clearance	0.0540	L/h/kg	0.9	ml/min/kg	intravenous injection, IV; human, homo sapiens;	Human Intravenous Pharmacokinetic Dataset
Volume of Distribution	6.6	L/kg	6.57	L/kg	intravenous injection, IV; human, homo sapiens;	Human Intravenous Pharmacokinetic Dataset
Half-life	198.0	h	198	h		DRUGBANK
Half-life	140.0	h	140	h	intravenous injection, IV; human, homo sapiens;	Human Intravenous Pharmacokinetic Dataset
Protein Binding	93.0	%	>93	%		DRUGBANK

Maximum Dosage

Not Available

Drug Property Radar Chart

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