1. Primary Information
| English name: | Ixazomib Citrate |
| CAS No.: | 1239908-20-3 |
| Molecular formula: | C20H23BCl2N2O9 |
| Molecular weight: | 517.1 g/mol |
| SMILES: | B1(OC(=O)C(O1)(CC(=O)O)CC(=O)O)C(CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl |
| Structural class: | |
| Other identifiers: |
ixazomib MLN 9708 MLN-9708 MLN9708 Ninlaro |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 2mg | 99% | 280 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 99% | 400 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 99% | 520 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 99% | 1080 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 99% | 1824 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[4-(carboxymethyl)-2-[(1R)-1-[[2-[(2,5-dichlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid
4.2 InChI
InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-19(32)20(34-21,7-16(27)28)8-17(29)30)25-15(26)9-24-18(31)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,31)(H,25,26)(H,27,28)(H,29,30)/t14-/m0/s1
4.3 InChIKey
MBOMYENWWXQSNW-AWEZNQCLSA-N
4.4 Canonical SMILES
B1(OC(=O)C(O1)(CC(=O)O)CC(=O)O)C(CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl
4.5 Isomeric SMILES
B1(OC(=O)C(O1)(CC(=O)O)CC(=O)O)[C@H](CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
5.2 1H nuclear magnetic resonance (1H NMR)
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
