Docetaxel Hydroxy tert-Butylcarbamate-d6

CAS: 154044-57-2

Ref. TR-D494427

Product Information

• Name: Docetaxel Hydroxy tert-Butylcarbamate-d6
• Synonyms: (αR,βS)-α-Hydroxy-β-[[(2-hydroxy-1,1-dimethylethoxy-d6)carbonyl]amino]benzenepropanoic Acid, (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, Hydroxy Taxotere-d6, RPR 104952-d6
• Brand: TRC
• Description: Applications Docetaxel Hydroxy tert-Butylcarbamate-d6 is the labeled analogue of Docetaxel Hydroxy tert-Butylcarbamate (D494425), the main metabolite of Docetaxel (D494420), an antineoplastic.References Commercon, A., et al.: Tetrahedron, 50, 34, 10289 (1994)

Chemical properties

• Molecular weight: 829.92
• Formula: C₄₃H₄₇D₆NO₁₅
• Color/Form: Neat
• InChI: InChI=1S/C43H53NO15/c1-22-26(56-37(52)32(49)30(24-14-10-8-11-15-24)44-38(53)59-39(3,4)20-45)19-43(54)35(57-36(51)25-16-12-9-13-17-25)33-41(7,34(50)31(48)29(22)40(43,5)6)27(47)18-28-42(33,21-55-28)58-23(2)46/h8-17,26-28,30-33,35,45,47-49,54H,18-21H2,1-7H3,(H,44,53)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1/i3D3,4D3
• InChI key: InChIKey=HABZZLXXUPZIJD-LFVRPHSGSA-N
• SMILES: [2H]C([2H])([2H])C(CO)(OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)C([2H])([2H])[2H]