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Doxorubicinone Structure

Doxorubicinone

Chemical Properties

Melting point 223-225°C
Boiling point 741.2±60.0 °C(Predicted)
Density  1.671±0.06 g/cm3(Predicted)
storage temp.  Amber Vial, -20°C Freezer
solubility  Dioxane (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 7.45±0.60(Predicted)
color  Red to Very Dark Red
Stability Light Sensitive
InChI InChI=1S/C21H18O9/c1-30-11-4-2-3-8-14(11)20(28)16-15(17(8)25)18(26)9-5-21(29,12(24)7-22)6-10(23)13(9)19(16)27/h2-4,10,22-23,26-27,29H,5-7H2,1H3/t10-,21-/m0/s1
InChIKey IBZGBXXTIGCACK-CWKPULSASA-N
SMILES C1(OC)=C2C(C(=O)C3=C(C2=O)C(O)=C2C(C[C@@](O)(C(CO)=O)C[C@@H]2O)=C3O)=CC=C1
CAS DataBase Reference 24385-10-2

Safety Information

HS Code  29147000

Usage And Synthesis

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