Primary Record
docetaxel
- In stock
- 9,522 g
- Purity
- 98.9 %
- CAS
- 114977-28-5
Compound Identifiers & Properties
- CAS
- 114977-28-5
- PubChem CID
- 56965763
- SMILES
- CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4C([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)[C@H](O4)OC(=O)C)O)C)O
- Canonical SMILES
- CC(=O)O[C@H]1O[C@@H]2C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c5ccccc5)C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]3C12)C4(C)C
Names & Synonyms
- docetaxel
- AKOS015920116
- BR-72918
- S-6037
- 114977-28-5
- (1S,2S,3R,5R,7R,9S,10S,12R,15S)-5-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0(3),(1)?.0?,?]heptadec-13-en-2-yl benzoate