1. Primary Information
| English name: | Acamprosate Calcium |
| CAS No.: | 77337-73-6 |
| Molecular formula: | C10H20CAN2O8S2 |
| Molecular weight: | 400.5 g/mol |
| SMILES: | CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2] |
| Structural class: | |
| Other identifiers: |
acamprosate acamprosate calcium acamprostate Acetyl Homotaurinate, Calcium Acetylhomotaurinate, Calcium |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 25mg | 98% | 192 | RT | in stock | - |
| Kehua Intelligence | 50mg | 98% | 320 | RT | in stock | - |
| Kehua Intelligence | 200mg | 98% | 520 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
calcium;3-acetamidopropane-1-sulfonate
4.2 InChI
InChI=1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2
4.3 InChIKey
BUVGWDNTAWHSKI-UHFFFAOYSA-L
4.4 Canonical SMILES
CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
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 --
