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Chemical structure of Tecarfarin

GC38857

Tecarfarin

Also known as (1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) 4-[(4-hydroxy-2-oxochromen-3-yl)methyl]benzoate

Tecarfarin (ATI-5923) is an orally active and non-competitive vitamin K epoxide reductase (VKOR) antagonist, and impairs the activation of the vitamin K-dependent clotting factors II, VII, IX and X

ChemicalCAS867257-26-9MW460.32FormulaC21H14F6O5
CAS number
867257-26-9
Molecular weight
460.32
Formula
C21H14F6O5
Solubility
DMSO: 250 mg/mL (543·10 mM)
InChIKey
QFLNTQDOVCLQKW-UHFFFAOYSA-N
Catalogue number
GC38857
Brand
GLPBIO
Computed properties PubChem CID 54718618 · XLogP 5.5 · TPSA 72.8 Ų · H-bond donors 1
XLogP
5.5
TPSA
72.8 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
32

SMILES CC(C(F)(F)F)(C(F)(F)F)OC(=O)C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)O

Computed descriptors from PubChem (CID 54718618), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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