1. Primary Information
| English name: | Brincidofovir |
| CAS No.: | 444805-28-1 |
| Molecular formula: | C27H52N3O7P |
| Molecular weight: | 561.7 g/mol |
| SMILES: | CCCCCCCCCCCCCCCCOCCCOP(=O)(COC(CN1C=CC(=NC1=O)N)CO)O |
| Structural class: | |
| Other identifiers: |
brincidofovir cidofovir hexadecyloxypropyl ester CMX 001 CMX-001 CMX001 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 5600 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 10584 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 23520 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 38400 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(2S)-1-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxypropan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic acid
4.2 InChI
InChI=1S/C27H52N3O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-35-20-16-21-37-38(33,34)24-36-25(23-31)22-30-18-17-26(28)29-27(30)32/h17-18,25,31H,2-16,19-24H2,1H3,(H,33,34)(H2,28,29,32)/t25-/m0/s1
4.3 InChIKey
WXJFKKQWPMNTIM-VWLOTQADSA-N
4.4 Canonical SMILES
CCCCCCCCCCCCCCCCOCCCOP(=O)(COC(CN1C=CC(=NC1=O)N)CO)O
4.5 Isomeric SMILES
CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@@H](CN1C=CC(=NC1=O)N)CO)O
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 --
