Difenacoum

Difenacoum is an anticoagulant of the 4-hydroxycoumarin vitamin K antagonist type. It has anticoagulant effects and is used commercially as a rodenticide. It was first introduced in 1976 and first registered in the USA in 2007.

Difenacoum
Names
Preferred IUPAC name
3-[3-([1,1′-Biphenyl]-4-yl)-1,2,3,4-tetrahydronapthalen-1-yl]-4-hydroxy-2H-1-benzopyran-2-one
Other names
Diphenacoum
Identifiers
3D model (JSmol)
ChemSpider
ECHA InfoCard 100.054.508
KEGG
PubChem CID
UNII
  • InChI=1S/C31H24O3/c32-30-26-12-6-7-13-28(26)34-31(33)29(30)27-19-24(18-23-10-4-5-11-25(23)27)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-17,24,27,32H,18-19H2 N
    Key: FVQITOLOYMWVFU-UHFFFAOYSA-N N
SMILES
  • O=c1c(C2CC(c3ccc(-c4ccccc4)cc3)Cc3ccccc32)c(O)oc2ccccc12
Properties
C31H24O3
Molar mass 444.52 g/mol
Density 1.27 (98.7% w/w)
Melting point 211.0 to 215.0 °C (411.8 to 419.0 °F; 484.1 to 488.1 K) (98.7% wlw)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references
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