Description:
an impurity of Imatinib (Gleevec)
- Molecular Weight: 873.04
- Molecular Formula: C52H48N12O2
Purity: > 95%
Canonical SMILES:
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)CC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)C)NC6=NC=CC(=N6)C7=CN=CC=C7)NC8=NC=CC(=N8)C9=CN=CC=C9
InChI:
InChI=1S/C52H48N12O2/c1-35-7-17-43(29-47(35)61-51-55-23-19-45(59-51)41-5-3-21-53-31-41)57-49(65)39-13-9-37(10-14-39)33-63-25-27-64(28-26-63)34-38-11-15-40(16-12-38)50(66)58-44-18-8-36(2)48(30-44)62-52-56-24-20-46(60-52)42-6-4-22-54-32-42/h3-24,29-32H,25-28,33-34H2,1-2H3,(H,57,65)(H,58,66)(H,55,59,61)(H,56,60,62)
InChIKey: DZHKYOWYCVBDPW-UHFFFAOYSA-N
- Melting Point: >254°C
- Appearance: White to Off-White Solid
Synonyms:
Des(methylpiperazinyl-N-methyl) Imatinib Dimer Impurity; 4,4'-(piperazine-1,4-diylbis(methylene))bis(N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide)
More details are to be found on supplier website
