RefChem:1095820
(E)-but-2-enedioic acid;1-(2,9-dimethoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: 3,7-Dimethoxy-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate|Piperazine, 1-(3,7-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-(2,9-dimethoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
CAS: 80709-68-8
| Molecular Formula | C25H28N2O6S |
|---|---|
| Molecular Weight | 484.1668 g/mol |
| LogP | 3.6257 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.1668 |
| Monoisotopic Mass | 484.1668 |
| Heavy Atoms | 34 |
| Complexity | 1090.5798 |
Chemical Identifiers
| CAS Number | 80709-68-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(C=C(C=C3)OC)SC4=C2C=CC(=C4)OC.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095820 (CAS 80709-68-8), with molecular formula C25H28N2O6S and molecular weight 484.1668 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(2,9-dimethoxybenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
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.
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