RefChem:1056558
(E)-but-2-enedioic acid;2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol
Also Known As: 4-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide maleate|1-Piperazineethanol, 4-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, 1-oxide, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol
CAS: 73237-55-5
| Molecular Formula | C24H27ClN2O6S |
|---|---|
| Molecular Weight | 506.12784 g/mol |
| LogP | 3.4227 |
| Topological Polar Surface Area | 121.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.12784 |
| Monoisotopic Mass | 506.12784 |
| Heavy Atoms | 34 |
| Complexity | 1039.5088 |
Chemical Identifiers
| CAS Number | 73237-55-5 |
|---|---|
| SMILES | C1C[N+](CCN1C2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24)(CCO)[O-].C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056558 (CAS 73237-55-5), with molecular formula C24H27ClN2O6S and molecular weight 506.12784 g/mol. IUPAC: (E)-but-2-enedioic acid;2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-oxidopiperazin-1-ium-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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