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Imatinib N1,N4-Dioxide, Mikromol™
Description
Imatinib N1,N4-Dioxide
Specifications
Specifications
| Chemical Name or Material | Imatinib N1,N4-dioxide |
| CAS | 571186-93-1 |
| Analyte or Component Names | Imatinib N1,N4-dioxide |
| Shipping Condition | Ice pack (-20°C) |
| Molecular Formula | C29 H31 N7 O3 |
| Synonym | 4-[(4-methyl-1,4-dioxido-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide, Imatinib (Piperidine)-N,N-dioxide, Imatinib N1,N4-Dioxide, Benzamide, 4-[(4-methyl-1,4-dioxido-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]- |
| InChI Formula | InChI=1S/C29H31N7O3/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(39)16-14-35(2,38)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) |
| SMILES | Cc1ccc(NC(=O)c2ccc(C[N+]3([O-])CC[N+](C)([O-])CC3)cc2)cc1Nc4nccc(n4)c5cccnc5 |
| IUPAC Name | 4-[(4-methyl-1,4-dioxidopiperazine-1,4-diium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide |
| Molecular Weight (g/mol) | 525.6 |
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