1. Primary Information
| English name: | Strontium ranelate |
| CAS No.: | 135459-87-9 |
| Molecular formula: | C12H6N2O8SSR2 |
| Molecular weight: | 513.5 g/mol |
| SMILES: | C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Sr+2].[Sr+2] |
| Structural class: | |
| Other identifiers: |
3-(3-cyano-4-carboxymethyl-5-carboxy-2-thienyl)-3-azapentanedioic distrontium salt protelos S 12911 S-12911 S12911 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 20mg | 99% | 160 | -20℃ | in stock | - |
| Kehua Intelligence | 5g | 98% | 60 | -20℃ | in stock | - |
| Kehua Intelligence | 25g | 98% | 232 | -20℃ | in stock | - |
| Kehua Intelligence | 100g | 98% | 480 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 99% | 364 | -20℃ | in stock | - |
| Kehua Intelligence | 500mg | 99% | 1024 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
distrontium;5-[bis(carboxylatomethyl)amino]-3-(carboxylatomethyl)-4-cyanothiophene-2-carboxylate
4.2 InChI
InChI=1S/C12H10N2O8S.2Sr/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20;;/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22);;/q;2*+2/p-4
4.3 InChIKey
XXUZFRDUEGQHOV-UHFFFAOYSA-J
4.4 Canonical SMILES
C(C1=C(SC(=C1C#N)N(CC(=O)[O-])CC(=O)[O-])C(=O)[O-])C(=O)[O-].[Sr+2].[Sr+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 --
