CTK1H1619
bis(but-2-enedioic acid);2-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: 4-(2-Chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2)|1-Piperazineethanol, 4-(2-chloro-10,11-dihydro-7-fluorodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2)
CAS: 58722-69-3
| Molecular Formula | C28H30ClFN2O9S |
|---|---|
| Molecular Weight | 624.13446 g/mol |
| LogP | 3.261 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 624.13446 |
| Monoisotopic Mass | 624.13446 |
| Heavy Atoms | 42 |
| Complexity | 1264.4539 |
Chemical Identifiers
| CAS Number | 58722-69-3 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2CC3=C(C=CC(=C3)Cl)SC4=C2C=CC(=C4)F.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O |
Product Overview
CTK1H1619 (CAS 58722-69-3), with molecular formula C28H30ClFN2O9S and molecular weight 624.13446 g/mol. IUPAC: bis(but-2-enedioic acid);2-[4-(3-chloro-9-fluoro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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