Docetaxel-d5

Compound Identifiers & Properties

PubChem CID

46781414

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)OC2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O)(C(=O)[C@@H](C5=C(C(C[C@@]2(C5(C)C)O)OC(=O)C([C@H](C6=CC=CC=C6)NC(=O)OC(C)(C)C)O)C)O)C)[2H])[2H]

Canonical SMILES

[2H]c1c([2H])c([2H])c(C(=O)OC2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C3=C(C)C(OC(=O)C(O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@]2(O)C3(C)C)c([2H])c1[2H]