Primary Record
Docetaxel Impurity 53
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 15765780
- SMILES
- CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)N6C(C(OC6=O)(C)C)O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O
- Canonical 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](c4ccccc4)N4C(=O)OC(C)(C)C4O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Names & Synonyms
- Docetaxel Impurity 53
- CHEMBL3706532
- CTK8F9346
- Docetaxel Metabolites M1 and M3(Mixture of Diastereomers)
- Docetaxel Metabolites M1 and M3 (Mixture of Diastereomers)
- (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-4,6,11-trihydroxy-9-(((2R,3S)-2-hydroxy-3-(4-hydroxy-5,5-dimethyl-2-oxooxazolidin-3-yl)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclod