N-Des-t-boc-N-2-(1-hydroxy-2-methyl)propyloxycarbonxyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel structure
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Common Name | N-Des-t-boc-N-2-(1-hydroxy-2-methyl)propyloxycarbonxyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel | ||
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| CAS Number | 160651-89-8 | Molecular Weight | 1174.67000 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C49H55Cl6NO19 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | N-Des-t-boc-N-2-(1-hydroxy-2-methyl)propyloxycarbonxyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel |
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| Synonym | More Synonyms |
| Molecular Formula | C49H55Cl6NO19 |
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| Molecular Weight | 1174.67000 |
| Exact Mass | 1171.15000 |
| PSA | 275.28000 |
| LogP | 7.68510 |
| InChIKey | LONRMLYHJPPIEB-MIXGCZKZSA-N |
| SMILES | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)CO)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC(=O)OCC(=ClCl)Cl)C)OC(=O)OCC(=ClCl)Cl |
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~74%
N-Des-t-boc-N-2... CAS#:160651-89-8 |
| Literature: Commercon, Alain; Bourzat, Jean-Dominique; Bezard, Daniel; Vuilhorgne, Marc Tetrahedron, 1994 , vol. 50, # 34 p. 10289 - 10298 |
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~%
N-Des-t-boc-N-2... CAS#:160651-89-8 |
| Literature: Tetrahedron, , vol. 50, # 34 p. 10289 - 10298 |
| Precursor 2 | |
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| DownStream 0 | |
| (2aR,4S,4aS,6R,9R,11S,12R,12aR,12bR)-12b-acetoxy-11-hydroxy-9-(((2S,3S)-2-hydroxy-3-((((1-hydroxy-2-methylpropan-2-yl)oxy)carbonyl)amino)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4,6-bis(((2,2,2-trichloroethoxy)carbonyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate |