Difenacoum

CAS Registry Number®

56073-07-5

CAS Name

Difenacoum

Molecular Formula

C31H24O3

Molecular Mass

444.52

Cite this Page

Difenacoum.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56073-07-5 (retrieved 2024-11-21) (CAS RN: 56073-07-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    228-232 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=FVQITOLOYMWVFU-UHFFFAOYSA-N

SMILES

OC1=C(C2C=3C(CC(C2)C4=CC=C(C=C4)C5=CC=CC=C5)=CC=CC3)C(=O)OC=6C1=CC=CC6

Canonical SMILES

O=C1OC=2C=CC=CC2C(O)=C1C3C=4C=CC=CC4CC(C=5C=CC(=CC5)C=6C=CC=CC6)C3

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 3-(3-[1,1′-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-
  • 3-(3-[1,1′-Biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthalenyl)-4-hydroxy-2H-1-benzopyran-2-one
  • Difenacoum
  • Neosorexa
  • Diphenacoum

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration