1. Primary Information
| English name: | Vorapaxar Sulfate |
| CAS No.: | 705260-08-8 |
| Molecular formula: | C29H35FN2O8S |
| Molecular weight: | 590.7 g/mol |
| SMILES: | CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C.OS(=O)(=O)O |
| Structural class: | |
| Other identifiers: |
SCH 530348 SCH-530348 SCH530348 vorapaxar Zontivity |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 320 | -20℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 880 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1672 | -20℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 3040 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 6000 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
ethyl N-[(1R,3aR,4aR,6R,8aR,9S,9aS)-9-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1-methyl-3-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-6-yl]carbamate;sulfuric acid
4.2 InChI
InChI=1S/C29H33FN2O4.H2O4S/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18;1-5(2,3)4/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34);(H2,1,2,3,4)/b12-9+;/t17-,20+,23-,24-,25+,26-,27+;/m1./s1
4.3 InChIKey
NQRYCIGCIAWEIC-CKLVGUEFSA-N
4.4 Canonical SMILES
CCOC(=O)NC1CCC2C(C1)CC3C(C2C=CC4=NC=C(C=C4)C5=CC(=CC=C5)F)C(OC3=O)C.OS(=O)(=O)O
4.5 Isomeric SMILES
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@H]([C@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)F)[C@H](OC3=O)C.OS(=O)(=O)O
