Primary Record
Taxotere
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 11445748
- 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)NC(=O)O[11C](C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(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](NC(=O)O[11C](C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C
Names & Synonyms
- Taxotere
- [11C]Docetaxel
- CID11445748
- J2.632.923J
- (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,9,12-trihydroxy-15-{[(2R,3S)-2-hydroxy-3-[({[2-methyl(2-11C)propan-2-yl]oxy}carbonyl)amino]-3-phenylpropanoyl]oxy}-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
- (2R,3S)-2-Hydroxy-3-[1,1-dimethyl(1-11C)ethoxycarbonylamino]-3-phenylpropionic acid 1,7beta,10beta-trihydroxy-2alpha-(benzoyloxy)-4-acetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester