Desbenzoyl Docetaxel

CAS: 160972-48-5

Ref. TR-D289160

Product Information

• Name: Desbenzoyl Docetaxel
• Synonyms: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11,12-tetrahydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11,12-tetrahydroxy-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]]- (9CI)
• Brand: TRC
• Description: Applications Desbenzoyl Docetaxel is an Impurity of Docetaxel (D494420), a semisynthetic derivative of Paclitaxel (P132500). Paclitaxel is an antimitotic agent that promotes the assembly of micro-tubules and inhibits their de-polymerization to free tubulin. An antine oplastic.References Pulicani, J.P., et al.: Tetrahedron. Lett., 35, 9717 (1994)

Chemical properties

• Molecular weight: 703.773
• Formula: C₃₆H₄₉NO₁₃
• Color/Form: Off-White
• InChI: InChI=1S/C36H49NO13/c1-17-20(48-30(44)26(41)24(19-12-10-9-11-13-19)37-31(45)50-32(3,4)5)15-36(46)29(43)27-34(8,28(42)25(40)23(17)33(36,6)7)21(39)14-22-35(27,16-47-22)49-18(2)38/h9-13,20-22,24-27,29,39-41,43,46H,14-16H2,1-8H3,(H,37,45)/t20-,21-,22+,24-,25+,26+,27-,29-,34+,35-,36+/m0/s1
• InChI key: InChIKey=RDDHCOGJTZHCET-ZQSDSWQCSA-N
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](O)C12)C3(C)C