N-Des-t-boc-10-deacetyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel

CAS: 114915-16-1

Ref. TR-D422110

Información del producto

• Nombre: N-Des-t-boc-10-deacetyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel
• Sinónimos: (αR,βS)-β-Amino-α-hydroxy-benzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,
• CAS: 114915-16-1

Descripción

Applications An intermediate in partial synthesis of major human metabolites of Docetaxel (D494420), an antineoplastic.
References Ojima, I., et al.: J. Med. Chem., 40, 279 (1997), Ojima, I., et al.: Bioorg. Med. Chem., 11, 2867 (2003), Liu, C., et al.: Bioorg. Med. Chem., 12, 6147 (2004),

• Marca: TRC

Propiedades químicas

• Peso molecular: 1058.56
• Fórmula: C₄₄H₄₇Cl₆NO₁₆
• Color/Forma: Pale Beige Solid
• InChI: InChI=1S/C44H47Cl6NO16/c1-21-25(63-36(56)30(53)29(51)23-12-8-6-9-13-23)17-42(59)34(66-35(55)24-14-10-7-11-15-24)32-40(5,33(54)31(28(21)39(42,3)4)65-38(58)62-20-44(48,49)50)26(64-37(57)61-19-43(45,46)47)16-27-41(32,18-60-27)67-22(2)52/h6-15,25-27,29-32,34,53,59H,16-20,51H2,1-5H3/t25-,26-,27+,29-,30+,31+,32-,34-,40+,41-,42+/m0/s1
• Clave InChI: InChIKey=WKPUBLILKSBNLE-NSXDQZGMSA-N
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]1(C)C(=O)[C@H](OC(=O)OCC(Cl)(Cl)Cl)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](N)c4ccccc4)CC(O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C