1. Primary Information
| English name: | Nintedanib esylate |
| CAS No.: | 656247-18-6 |
| Molecular formula: | C33H39N5O7S |
| Molecular weight: | 649.8 g/mol |
| SMILES: | CCS(=O)(=O)O.CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O |
| Structural class: | |
| Other identifiers: |
BIBF 1120 BIBF-1120 BIBF1120 nintedanib Nintedanib esylate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 99% | 281 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 99% | 384 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | 99% | 960 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 99% | 1664 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 99% | 3008 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
ethanesulfonic acid;methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
4.2 InChI
InChI=1S/C31H33N5O4.C2H6O3S/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;1-2-6(3,4)5/h4-14,19,33,38H,15-18,20H2,1-3H3;2H2,1H3,(H,3,4,5)
4.3 InChIKey
ZNMRDZZRAFJOKY-UHFFFAOYSA-N
4.4 Canonical SMILES
CCS(=O)(=O)O.CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O
4.5 Isomeric SMILES
-
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 --
