De-Boc-Cabazitaxel

De-Boc-Cabazitaxel is a potential impurity in commercial preparations of the semisynthetic taxane cabazitaxel. It has also been used in the synthesis of tubulin-targeting fluorescent dyes.Formal Name: (alphaR,betaS)-beta-amino-alpha-hydroxy-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-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester. CAS Number: 1638286-64-2. Synonyms: Cabazitaxel Impurity IV. Molecular Formula: C40H49NO12. Formula Weight: 735.8. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMSO: slightly soluble, Methanol: slightly soluble. SMILES: O[C@@]1(C(C)(C)C([C@H]2OC)=C([C@@H](OC([C@H](O)[C@@H](N)C3=CC=CC=C3)=O)C1)C)[C@@H](OC(C4=CC=CC=C4)=O)[C@]5([H])[C@@]6(OC(C)=O)[C@@](OC6)([H])C[C@H](OC)[C@@]5(C)C2=O. InChi Code: InChI=1S/C40H49NO12/c1-21-25(51-36(46)30(43)29(41)23-14-10-8-11-15-23)19-40(47)34(52-35(45)24-16-12-9-13-17-24)32-38(5,33(44)31(49-7)28(21)37(40,3)4)26(48-6)18-27-39(32,20-50-27)53-22(2)42/h8-17,25-27,29-32,34,43,47H,18-20,41H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1. InChi Key: ONJGHPJYUCCBGB-KWIOUIIFSA-N.