Description:
an impurity of Imatinib (Gleevec)
- Molecular Weight: 509.62
- Molecular Formula: C29H31N7O2
Purity: > 95%
Canonical SMILES:
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[N+]3(CCN(CC3)C)[O-])NC4=NC=CC(=N4)C5=CN=CC=C5
InChI:
InChI=1S/C29H31N7O2/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36(38)16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
InChIKey: JOLLULXEPUYESM-UHFFFAOYSA-N
- Melting Point: >153°C
- Appearance: Light Yellow Solid
Synonyms:
Imatinib (Piperidine)-1-oxide; 4-[(4-Methyl-1-oxido-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide;
More details are to be found on supplier website
