Chemical Compound

Ibrutinib Impurity 157

Ibrutinib Impurity 157 chemical structure
Primary Record

Ibrutinib Impurity 157

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177836491
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=C(C=C5)C6=NN(C7=NC=NC(=C67)N)[C@@H]8CCCN(C8)C(=O)OC(C)(C)C)N
Canonical SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccc(-c5nn([C@@H]6CCCN(C(=O)OC(C)(C)C)C6)c6ncnc(N)c56)cc4)cc3)c3c(N)ncnc32)C1

Names & Synonyms

  • Ibrutinib Impurity 157
  • di-tert-butyl 3,3'-((oxybis(4,1-phenylene))bis(4-amino-1H-pyrazolo[3,4-d]pyrimidine-3,1-diyl))(3R,3'R)-bis(piperidine-1-carboxylate)