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Chemical structure of 7-Hydroxywarfarin

GC40529

7-Hydroxywarfarin

Also listed as 7-hydroxy Warfarin

7-hydroxy Warfarin is a metabolite of (-)-warfarin, which is a more potent vitamin K antagonist than (+)-warfarin

ChemicalCAS17834-03-6MW324.3FormulaC19H16O5
CAS number
17834-03-6
Molecular weight
324.3
Formula
C19H16O5
Solubility
DMSO ： 50 mg/mL (154·16 mM; Need ultrasonic)
InChIKey
SKFYEJMLNMTTJA-UHFFFAOYSA-N
Catalogue number
GC40529
Brand
GLPBIO
Computed properties PubChem CID 54682507 · XLogP 2.3 · TPSA 83.8 Ų · H-bond donors 2
XLogP
2.3
TPSA
83.8 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24

SMILES CC(=O)CC(C1=CC=CC=C1)C2=C(C3=C(C=C(C=C3)O)OC2=O)O

Computed descriptors from PubChem (CID 54682507), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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