1. Primary Information
| English name: | Vernakalant hydrochloride |
| CAS No.: | 748810-28-8 |
| Molecular formula: | C20H32ClNO4 |
| Molecular weight: | 385.9 g/mol |
| SMILES: | COC1=C(C=C(C=C1)CCOC2CCCCC2N3CCC(C3)O)OC.Cl |
| Structural class: | |
| Other identifiers: |
RSD 1235 RSD-1235 RSD1235 vernakalant |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 1560 | RT | in stock | - |
| Kehua Intelligence | 10mg | 98% | 2560 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]pyrrolidin-3-ol;hydrochloride
4.2 InChI
InChI=1S/C20H31NO4.ClH/c1-23-19-8-7-15(13-20(19)24-2)10-12-25-18-6-4-3-5-17(18)21-11-9-16(22)14-21;/h7-8,13,16-18,22H,3-6,9-12,14H2,1-2H3;1H/t16-,17-,18-;/m1./s1
4.3 InChIKey
JMHYCBFEEFHTMK-IIUXMCBISA-N
4.4 Canonical SMILES
COC1=C(C=C(C=C1)CCOC2CCCCC2N3CCC(C3)O)OC.Cl
4.5 Isomeric SMILES
COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC.Cl
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 --
