1. Primary Information
| English name: | Ketotifen Fumarate |
| CAS No.: | 34580-14-8 |
| Molecular formula: | C23H23NO5S |
| Molecular weight: | 425.5 g/mol |
| SMILES: | CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O |
| Structural class: | |
| Other identifiers: |
4,9-Dihydro-4-(1-methyl-4-piperidylidene)-10H-benzo(4,5)-cyclohepta(1,2-b)thiophen-10-one Fumarate, Ketotifen Ketotifen Ketotifen Fumarate Ketotifene |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100mg | HPLC≥98% | 140 | 2-8℃ | in stock | - |
| Kehua Intelligence | 250mg | 99% | 144 | 2-8℃ | in stock | - |
| Kehua Intelligence | 1g | 99% | 240 | 2-8℃ | in stock | - |
| Kehua Intelligence | 5g | 99% | 480 | 2-8℃ | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
4. International Nomenclature & Identifiers
4.1 IUPAC Name
(E)-but-2-enedioic acid;2-(1-methylpiperidin-4-ylidene)-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
4.2 InChI
InChI=1S/C19H19NOS.C4H4O4/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19;5-3(6)1-2-4(7)8/h2-5,8,11H,6-7,9-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
4.3 InChIKey
YNQQEYBLVYAWNX-WLHGVMLRSA-N
4.4 Canonical SMILES
CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=CC(=O)O)C(=O)O
4.5 Isomeric SMILES
CN1CCC(=C2C3=C(C(=O)CC4=CC=CC=C42)SC=C3)CC1.C(=C/C(=O)O)\C(=O)O
