For research use only. Not for therapeutic Use.
A metabolite of Doxorubicin (Dx).
| Catalog Number | R006308 |
| CAS Number | 24385-10-2 |
| Synonyms | (8S,10S)-7,8,9,10-tetrahydro-6,8,10,11-tetrahydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,12-naphthacenedione; Adriamycin Aglycone; Adriamycinone; Doxorubicin Aglycone; Epirubicin Aglycone; ? |
| Molecular Formula | C21H18O9 |
| Purity | ≥95% |
| Target | Endogenous Metabolite |
| Storage | -20°C |
| IUPAC Name | (7S,9S)-6,7,9,11-tetrahydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione |
| 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 | COC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=C4CC(CC(C4=C3O)O)(C(=O)CO)O)O |
| Reference | Cummings, J., et al.: Eur. J. Cancer Clin. Oncol., 22, 451 (1986) |
