Eltrombopag olamineProduct ingredient for Eltrombopag

Name
Eltrombopag olamine
Drug Entry
Eltrombopag

Eltrombopag is used to treat low blood platelet counts in adults with chronic immune (idiopathic) thrombocytopenia (ITP), when certain other medicines, or surgery to remove the spleen, have not worked well enough. ITP is a condition that may cause unusual bruising or bleeding due to an abnormally low number of platelets in the blood. Eltrombopag has also been recently approved (late 2012) for the treatment of thrombocytopenia (low blood platelet counts) in patients with chronic hepatitis C to allow them to initiate and maintain interferon-based therapy.

Accession Number
DBSALT000063
Structure
Synonyms
Eltrombopag olamine
External IDs
SB 497115GR / SB-497115-GR
UNII
4U07F515LG
CAS Number
496775-62-3
Weight
Average: 564.643
Monoisotopic: 564.269632903
Chemical Formula
C29H36N6O6
InChI Key
PLILLUUXAVKBPY-SBIAVEDLSA-N
InChI
InChI=1S/C25H22N4O4.2C2H7NO/c1-14-10-11-19(12-15(14)2)29-24(31)22(16(3)28-29)27-26-21-9-5-8-20(23(21)30)17-6-4-7-18(13-17)25(32)33;2*3-1-2-4/h4-13,26,30H,1-3H3,(H,32,33);2*4H,1-3H2/b27-22-;;
IUPAC Name
bis(2-aminoethan-1-ol); 3'-{2-[(4Z)-1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-ylidene]hydrazin-1-yl}-2'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid
SMILES
NCCO.NCCO.CC1=NN(C(=O)\C1=N/NC1=CC=CC(C2=CC=CC(=C2)C(O)=O)=C1O)C1=CC=C(C)C(C)=C1
PubChem Compound
9915926
ChemSpider
28475107
ChEMBL
CHEMBL3989691
PharmGKB
PA165981594
Wikipedia
Eltrombopag
Predicted Properties
PropertyValueSource
Water Solubility0.0103 mg/mLALOGPS
logP4.02ALOGPS
logP6.03ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)3.97ChemAxon
pKa (Strongest Basic)-0.12ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area114.59 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity126.48 m3·mol-1ChemAxon
Polarizability47.69 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon