1. Primary Information
| English name: | Levcromakalim |
| CAS No.: | 94535-50-9 |
| Molecular formula: | C16H18N2O3 |
| Molecular weight: | 286.33 g/mol |
| SMILES: | CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C |
| Structural class: | |
| Other identifiers: |
BRL 38226 BRL 38227 BRL-34915 BRL-38226 BRL-38227 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 99% | 960 | 2-8℃ | in stock | - |
| Kehua Intelligence | 10mg | 99% | 1320 | 2-8℃ | in stock | - |
| Kehua Intelligence | 50mg | 99% | 5440 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
4.2 InChI
InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3/t14-,15+/m1/s1
4.3 InChIKey
TVZCRIROJQEVOT-CABCVRRESA-N
4.4 Canonical SMILES
CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C
4.5 Isomeric SMILES
CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C
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
