Doxorubicinol (>90%)

CAS: 54193-28-1

Ref. TR-D558025

Product Information

• Name: Doxorubicinol (>90%)
• Synonyms: 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S,10S)-, 5,12-Naphthacenedione, 10-[(3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, [8S-[8α,8(R*),10α]]-, (8S,10S)-10-[(3-Amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-8-[(1S)-1,2-dihydroxyethyl]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione, 13-Dihydrodoxorubicin, Adriamycinol, Antibiotic 27706RP, Doxorubicinol
• Brand: TRC
• Description: Applications Doxorubicinol is a cardiotoxic metabolite of Doxorubicin (D558000). Used as an antineoplastic.References Freeland, M.M., et. al.: Anti-Cancer Drug, 23, 584 (2012)

Chemical properties

• Molecular weight: 545.54
• Formula: C₂₇H₃₁NO₁₁
• Purity: >90%
• Color/Form: Neat
• InChI: InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,16-,17-,22+,27-/m0/s1
• InChI key: InChIKey=NKZRZOVSJNSBFR-QEOIIHJPSA-N
• SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](O)CO)C[C@@H]3O[C@H]1C[C@@H](N)[C@@H](O)[C@H](C)O1