1. Primary Information
| English name: | Oxeladin citrate |
| CAS No.: | 52432-72-1 |
| Molecular formula: | C26H41NO10 |
| Molecular weight: | 527.6 g/mol |
| SMILES: | CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
2-(2-diethylaminoethoxy)ethyl 2-ethyl-2-phenylbutyrate oxeladin oxeladin citrate Paxéladine Pectamol |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | 95% | 184 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100mg | 95% | 336 | 2-8℃ | in stock | - |
| Kehua Intelligence | 200mg | 95% | 560 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[2-(diethylamino)ethoxy]ethyl 2-ethyl-2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
4.2 InChI
InChI=1S/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
4.3 InChIKey
KVKJFNUGVOFNGU-UHFFFAOYSA-N
4.4 Canonical SMILES
CCC(CC)(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
4.5 Isomeric SMILES
-
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 --
