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Warfarin-d5

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For Research Use Only | Not For Clinical Use
CATAPS75472934
CAS75472-93-4
Structure
Synonyms2H-1-Benzopyran-2-one, 4-hydroxy-3-[3-oxo-1-(phenyl-d5)butyl]- (9CI), (±)-4-Hydroxy-3-[3-oxo-1-(phenyl-d5)butyl]-2H-1-benzopyran-2-one,(±)-Warfarin D5 (phenyl-D5)
IUPAC Name4-hydroxy-3-[3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)butyl]chromen-2-one
Molecular Weight313.36
Molecular FormulaC192H5H11O4
Canonical SMILES[2H]c1c([2H])c([2H])c(C(CC(=O)C)C2=C(O)c3ccccc3OC2=O)c([2H])c1[2H]
InChIInChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3/i2D,3D,4D,7D,8D
Accurate Mass313.1362
FormatNeat
SubcategoryPolycyclic aromatic hydrocarbons (PAHs), Additional pesticides and metabolites, Stable isotope labelled compounds, Anticoagulants
TypeStable Isotope Labelled
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