Docetaxel Metabolite M4

CAS: 157067-34-0

Ref. TR-D494410

Produktinformation

• Name: Docetaxel Metabolite M4
• Synonyme: 3-Oxazolidinepropanoic acid, α-hydroxy-5,5-dimethyl-2,4-dioxo-β-phenyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-, 3-Oxazolidinepropanoic acid, α-hydroxy-5,5-dimethyl-2,4-dioxo-β-phenyl-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-α-hydroxy-5,5-dimethyl-2,4-dioxo-β-phenyl-3-oxazolidinepropanoic acid, 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.
• Marke: TRC
• Beschreibung: Applications The major human metabolite of Docetaxel (D494420), an antineoplastic.References Van Asperen, J., et al.: J. Pharm. Sci., 86, 881 (1997), Bradshaw, D.M., et al.: J. Clin. Oncol., 16, 3674 (1998),

Chemische Eigenschaften

• Molekulargewicht: 819.85
• Formel: C₄₃H₄₉NO₁₅
• Farbe/Form: Neat
• InChl: InChI=1S/C43H49NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,46-48,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,41+,42-,43+/m0/s1
• InChI Key: InChIKey=WZZFVRAJNWWNDL-KQFIBMETSA-N
• SMILES: CC(=O)OC12COC1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)C(c4ccccc4)N4C(=O)OC(C)(C)C4=O)CC(O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C