1. Primary Information
| English name: | Fosbretabulin disodium |
| CAS No.: | 168555-66-6 |
| Molecular formula: | C18H19NA2O8P |
| Molecular weight: | 440.3 g/mol |
| SMILES: | COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+] |
| Structural class: | |
| Other identifiers: |
1-(3,4,5-trimethoxyphenyl)-2-(3'-hydroxy-4'-methoxyphenyl)ethene 2-methoxy-5-((z)-2-(3,4,5-trimethoxyphenyl)vinyl)phenyl dihydrogen phosphate 3,4,5-trimethoxy-3'-hydroxy-4'-methoxystilbene CA4DP combretastatin A-4 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | HPLC≥98% | 384 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | HPLC≥98% | 1344 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
disodium;[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] phosphate
4.2 InChI
InChI=1S/C18H21O8P.2Na/c1-22-14-8-7-12(9-15(14)26-27(19,20)21)5-6-13-10-16(23-2)18(25-4)17(11-13)24-3;;/h5-11H,1-4H3,(H2,19,20,21);;/q;2*+1/p-2/b6-5-;;
4.3 InChIKey
VXNQMUVMEIGUJW-XNOMRPDFSA-L
4.4 Canonical SMILES
COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+]
4.5 Isomeric SMILES
COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)OP(=O)([O-])[O-].[Na+].[Na+]
