1. Primary Information
| English name: | Sorafenib Tosylate |
| CAS No.: | 475207-59-1 |
| Molecular formula: | C28H24ClF3N4O6S |
| Molecular weight: | 637.0 g/mol |
| SMILES: | CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F |
| Structural class: | |
| Other identifiers: |
4-(4-(3-(4-Chloro-3-trifluoromethylphenyl)ureido)phenoxy)pyridine-2-carboxylic acid methyamide-4-methylbenzenesulfonate BAY 43 9006 BAY 43-9006 BAY 439006 BAY 545 9085 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 120 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | ≥99% | 16 | -20℃ | in stock | - |
| Kehua Intelligence | 250mg | ≥99% | 36 | -20℃ | in stock | - |
| Kehua Intelligence | 1g | ≥99% | 88 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | ≥99% | 288 | -20℃ | in stock | - |
| Kehua Intelligence | 25g | ≥99% | 960 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid
4.2 InChI
InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)
4.3 InChIKey
IVDHYUQIDRJSTI-UHFFFAOYSA-N
4.4 Canonical SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
4.5 Isomeric SMILES
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