1. Primary Information
| English name: | Carbetapentane citrate |
| CAS No.: | 23142-01-0 |
| Molecular formula: | C26H39NO10 |
| Molecular weight: | 525.6 g/mol |
| SMILES: | CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Structural class: | |
| Other identifiers: |
2-(2-diethylaminoethoxy)ethyl 1-phenylcyclopentyl-1-carboxylate carbetapentane carbetapentane 1,5-napthalenedisulfonate (2:1) carbetapentane 2,6-napthalenedisulfonate (2:1) carbetapentane citrate |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 128 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 24 | 2-8℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 65 | 2-8℃ | in stock | - |
| Kehua Intelligence | 100g | 98% | 216 | 2-8℃ | in stock | - |
| Kehua Intelligence | 500g | 98% | 888 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
4.2 InChI
InChI=1S/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
4.3 InChIKey
AKJDEXBCRLOVTH-UHFFFAOYSA-N
4.4 Canonical SMILES
CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
4.5 Isomeric SMILES
-
