1. Primary Information
| English name: | Tropisetron hydrochloride |
| CAS No.: | 105826-92-4 |
| Molecular formula: | C17H21ClN2O2 |
| Molecular weight: | 320.8 g/mol |
| SMILES: | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl |
| Structural class: | |
| Other identifiers: |
(3 alpha-tropanyl)-1H-indole-3-carboxylic acid ester ICS 205 930 ICS 205-930 ICS 205930 ICS-205-930 |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 120 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | ≥98%(HPLC) | 72 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | ≥98%(HPLC) | 176 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | ≥98%(HPLC) | 472 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate;hydrochloride
4.2 InChI
InChI=1S/C17H20N2O2.ClH/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16;/h2-5,10-13,18H,6-9H2,1H3;1H/t11-,12+,13?;
4.3 InChIKey
XIEGSJAEZIGKSA-KOQCZNHOSA-N
4.4 Canonical SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.Cl
4.5 Isomeric SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CNC4=CC=CC=C43.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 --
