Chemical Compound

Ibrutinib impurity 6

CAS Registry Number 1987905-93-0
Ibrutinib impurity 6 chemical structure
Primary Record

Ibrutinib impurity 6

In stock
4,542 g
Purity
99.5 %
CAS
1987905-93-0

Compound Identifiers & Properties

CAS
1987905-93-0
PubChem CID
67095345
SMILES
C1CC(CN(C1)CCC(=O)N2CCCC(C2)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N)N7C8=NC=NC(=C8C(=N7)C9=CC=C(C=C9)OC1=CC=CC=C1)N
Canonical SMILES
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCCN(CCC(=O)N2CCCC(n3nc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)C2)C1

Names & Synonyms

  • Ibrutinib impurity 6
  • SCHEMBL1613582
  • C47H46N12O3
  • MED90593
  • 1987905-93-0
  • 1,3-bis[3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidyl]propan-1-one
  • 3-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-1-[(3R)-3-[4-imino-3-(4-phenoxyphenyl)-1H,2H ,4H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one