1. Primary Information
| English name: | Sumanirole maleate |
| CAS No.: | 179386-44-8 |
| Molecular formula: | C15H17N3O5 |
| Molecular weight: | 319.31 g/mol |
| SMILES: | CNC1CC2=C3C(=CC=C2)NC(=O)N3C1.C(=CC(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
5,6-dihydro-5-(methylamino)-4H-imidazo(4,5,1ij)-quinolin-2(1H)-one (Z)-2-butenedioate PNU-95666 Sumanirole U 95666E U-95666E |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98%，dopamine D2 receptor激动剂 | 2272 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98%，dopamine D2 receptor激动剂 | 4288 | -20℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(Z)-but-2-enedioic acid;(10R)-10-(methylamino)-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
4.2 InChI
InChI=1S/C11H13N3O.C4H4O4/c1-12-8-5-7-3-2-4-9-10(7)14(6-8)11(15)13-9;5-3(6)1-2-4(7)8/h2-4,8,12H,5-6H2,1H3,(H,13,15);1-2H,(H,5,6)(H,7,8)/b;2-1-/t8-;/m1./s1
4.3 InChIKey
VOJRMYBBPKNLLI-ORHWHDKWSA-N
4.4 Canonical SMILES
CNC1CC2=C3C(=CC=C2)NC(=O)N3C1.C(=CC(=O)O)C(=O)O
4.5 Isomeric SMILES
CN[C@@H]1CC2=C3C(=CC=C2)NC(=O)N3C1.C(=C\C(=O)O)\C(=O)O
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 --
