1. Primary Information
| English name: | Setiptiline maleate |
| CAS No.: | 85650-57-3 |
| Molecular formula: | C23H23NO4 |
| Molecular weight: | 377.4 g/mol |
| SMILES: | CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24.C(=CC(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
1,2,3,4-tetrahydro-2-methyl-9H-dibenzo(3,4-6,7)cyclohepta(1,2-C)pyridine 13b,4a-carba-mianserin MO 8282 MO-8282 ORG 8282 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 5mg | 98% | 800 | -20℃ | in stock | - |
| Kehua Intelligence | 10mg | 98% | 1200 | -20℃ | in stock | - |
| Kehua Intelligence | 50mg | 98% | 3600 | -20℃ | in stock | - |
| Kehua Intelligence | 100mg | 98% | 5200 | -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;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene
4.2 InChI
InChI=1S/C19H19N.C4H4O4/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
4.3 InChIKey
AVPIBVPBCWBXIU-BTJKTKAUSA-N
4.4 Canonical SMILES
CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24.C(=CC(=O)O)C(=O)O
4.5 Isomeric SMILES
CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24.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 --
