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Tegobuvir

CAT: 1410-M10009-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M10009-02Size:1 mL x 10 mM in DMSO
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Description
A nonnucleoside inhibitor of HCV NS5B polymerase that acts as a potent inhibitor of HCV genotype 1.
CAS Number
1000787-75-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
517.401
Molecular Formula
C25H14F7N5
Notes
Research use only, not for human use.
Receptor
HCV

Chemical Information

Tegobuvir

Tegobuvir has been investigated for the treatment of Hepatitis C, Chronic.

CAS Number1000787-75-6
PubChem CID23649154
IUPAC Name5-[[6-[2,4-bis(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]-2-(2-fluorophenyl)imidazo[4,5-c]pyridine
Molecular FormulaC25H14F7N5
Molecular Weight517.4
XLogP4.7
Topological Polar Surface Area56.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity765
SMILES
C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=NN=C(C=C4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)F
InChI
InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2
InChIKey
XBEQSQDCBSKCHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tegobuvir
CAS: 1000787-75-6
CID: 23649154
Formula: C25H14F7N5
MW: 517.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.4
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass517.11374260
Monoisotopic Mass517.11374260
Topological Polar Surface Area56.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity765
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

Alternative Products

CatalogName
HY-10544-01Tegobuvir
MBS386865-01Tegobuvir (GS-9190)
A11583-50Tegobuvir (GS-9190) 50mg
A11583-25Tegobuvir (GS-9190) 25mg
A11583-100Tegobuvir (GS-9190) 100mg
A11583-10Tegobuvir (GS-9190) 10mg
A11583-5Tegobuvir (GS-9190) 5mg
A11583-1Tegobuvir (GS-9190) 1mg
A11583-10mM-DTegobuvir (GS-9190) 10mM * 1mL in DMSO

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