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Chemical structure of Quinizarin

GC61666

Quinizarin

Also known as 1,4-dihydroxyanthracene-9,10-dione

Quinizarin (1,4-Dihydroxyanthraquinone), a part of the anticancer agents such as Doxorubicin, Daunorubicin, and Adriamycin, interacts with DNA by intercalating mode (Kd=86·1 μM)

ChemicalCAS81-64-1MW240.21FormulaC14H8O4
CAS number
81-64-1
Molecular weight
240.21
Formula
C14H8O4
Solubility
DMSO ： 3·33 mg/mL (13·86 mM; ultrasonic and warming and heat to 60°C)
InChIKey
GUEIZVNYDFNHJU-UHFFFAOYSA-N
Catalogue number
GC61666
Brand
GLPBIO
Computed properties PubChem CID 6688 · XLogP 3.7 · TPSA 74.6 Ų · H-bond donors 2
XLogP
3.7
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
18

SMILES C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O

Computed descriptors from PubChem (CID 6688), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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