1. Primary Information
| English name: | Treprostinil sodium |
| CAS No.: | 289480-64-4 |
| Molecular formula: | C23H33NAO5 |
| Molecular weight: | 412.5 g/mol |
| SMILES: | CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)[O-])O)O.[Na+] |
| Structural class: | |
| Other identifiers: |
((1R,2R,3AS,9AS)-2-hydroxy-1-((3S)-3-hydroxyoctyl)-2,3,3A,4,9,9A-hexahydro-1H-cylopent(b)naphthalen-5-yl)oxy)acetate Orenitram Remodulin trepostinil sodium treprostinil |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 1mg | 98% | 371 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5mg | 98% | 1120 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1984 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25mg | 98% | 3040 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
sodium;2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetate
4.2 InChI
InChI=1S/C23H34O5.Na/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25;/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27);/q;+1/p-1/t16-,17-,18+,19-,21+;/m0./s1
4.3 InChIKey
IQKAWAUTOKVMLE-ZSESPEEFSA-M
4.4 Canonical SMILES
CCCCCC(CCC1C(CC2C1CC3=C(C2)C(=CC=C3)OCC(=O)[O-])O)O.[Na+]
4.5 Isomeric SMILES
CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OCC(=O)[O-])O)O.[Na+]
