Description:
An impurity of Imatinib, a tyrosine kinase inhibitor used as a chemotherapy drug for the treatment of leukemia and other kinds of cancer.
- Molecular Weight: 923.50
- Molecular Formula: C53H51ClN12O2
Purity: > 95%
Canonical SMILES:
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CC[N+](CC3)(C)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/C53H50N12O2/c1-36-8-18-44(30-48(36)62-52-56-24-20-46(60-52)42-6-4-22-54-32-42)58-50(66)40-14-10-38(11-15-40)34-64-26-28-65(3,29-27-64)35-39-12-16-41(17-13-39)51(67)59-45-19-9-37(2)49(31-45)63-53-57-25-21-47(61-53)43-7-5-23-55-33-43/h4-25,30-33H,26-29,34-35H2,1-3H3,(H3-,56,57,58,59,60,61,62,63,66,67)/p+1
InChIKey: QBGARNIMTBRKNN-UHFFFAOYSA-O
Synonyms:
Des(methylpiperazinyl) Imatinib Dimer Piperazinium Chloride; 1-Methyl-1,4-bis[4-[(4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl)carbamoyl]benzyl]piperazin-1-ium chloride
More details are to be found on supplier website
