1. Primary Information
| English name: | Imatinib Mesylate |
| CAS No.: | 220127-57-1 |
| Molecular formula: | C30H35N7O4S |
| Molecular weight: | 589.7 g/mol |
| SMILES: | CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O |
| Structural class: | |
| Other identifiers: |
alpha-(4-methyl-1-piperazinyl)-3'-((4-(3-pyridyl)-2-pyrimidinyl)amino)-p-tolu-p-toluidide CGP 57148 CGP-57148 CGP57148 CGP57148B |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 480 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | ≥99% | 20 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | ≥99% | 24 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥99% | 40 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥99% | 108 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | ≥99% | 288 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | ≥99% | 960 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
4.2 InChI
InChI=1S/C29H31N7O.CH4O3S/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)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)
4.3 InChIKey
YLMAHDNUQAMNNX-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O
4.5 Isomeric SMILES
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