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Totrombopag

CAT: 0127-BUP07325-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07325-04Size:50 mg
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CAS Number
376592-42-6
Synonyms
SB559448, SB 559448, SB-559448, LGD-4665, Synonym 2, LGD 4665, LGD4665
Purity
=98%
Smiles
O=C1N(N=C(C)C1N=NC2=C(O)C(=CC=C2)C3=CC(=CC=C3)C=4NN=NN4)C5=CC(C)=C(C)C=C5

Chemical Information

Totrombopag

SB-559448 is a small-molecule drug that mimics the activity of thrombopoietin (TPO), a protein factor that promotes growth and production of blood platelets. This drug is developed by GlaxoSmithKline and used to treat Thrombocytopenia.Thrombocytopenia (decreased platelet count) is a common side effect of many chemotherapies and can lead to uncontrolled bleeding, thus representing a significant problem in the treatment of cancer patients.

CAS Number376592-42-6
PubChem CID71300872
IUPAC Name2-[[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-6-[3-(2H-tetrazol-5-yl)phenyl]phenolate
Molecular FormulaC25H21N8O2-
Molecular Weight465.5
XLogP5.2
Topological Polar Surface Area135
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge-1
Complexity821
SMILES
CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC(=C3[O-])C4=CC(=CC=C4)C5=NNN=N5)C
InChI
InChI=1S/C25H22N8O2/c1-14-10-11-19(12-15(14)2)33-25(35)22(16(3)30-33)27-26-21-9-5-8-20(23(21)34)17-6-4-7-18(13-17)24-28-31-32-29-24/h4-13,22,34H,1-3H3,(H,28,29,31,32)/p-1
InChIKey
KWJKFQSAMABKBG-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Totrombopag
CAS: 376592-42-6
CID: 71300872
Formula: C25H21N8O2-
MW: 465.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass465.17874694
Monoisotopic Mass465.17874694
Topological Polar Surface Area135 Ų
Heavy Atom Count35
Formal Charge-1
Complexity821
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5784389Totrombopag
HY-135041Totrombopag (choline)
MBS5811121Totrombopag choline

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