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Eltrombopag

CAT: 0127-BUP15498-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15498-05Size:100 mg
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CAS Number
496775-61-2
Synonyms
SB-497115, SB-497115-GR
Purity
=98%
Smiles
O=C/1N(N=C(C)\C1=N\NC2=C(O)C(=CC=C2)C3=CC(C(O)=O)=CC=C3)C4=CC(C)=C(C)C=C4

Chemical Information

Eltrombopag

Eltrombopag is a hydrazine in which each nitrogen atom is substituted, one by a 3'-carboxy-2-hydroxy[1,1'-biphenyl]-3-yl group and the other by a 1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene group. A small molecule agonist of the c-mpl (TpoR) receptor (the physiological target of the hormone thrombopoietin), it has been developed as a medication for conditions that lead to thrombocytopenia (abnormally low platelet counts). It has a role as a xenobiotic and a thrombopoietin receptor agonist. It is a member of benzoic acids, a member of hydrazines and a member of pyrazoles.

CAS Number496775-61-2
PubChem CID135449332
IUPAC Name3-[3-[[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-2-hydroxyphenyl]benzoic acid
Molecular FormulaC25H22N4O4
Molecular Weight442.5
XLogP5.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity812
SMILES
CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C
InChI
InChI=1S/C25H22N4O4/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/h4-13,28,30H,1-3H3,(H,32,33)
InChIKey
SVOQIEJWJCQGDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eltrombopag
CAS: 496775-61-2
CID: 135449332
Formula: C25H22N4O4
MW: 442.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass442.16410520
Monoisotopic Mass442.16410520
Topological Polar Surface Area115 Ų
Heavy Atom Count33
Formal Charge0
Complexity812
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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