RefChem:1095917
(E)-but-2-enedioic acid;3-chloro-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
Also Known As: 8-Chloro-3-methoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5-oxide maleate|Piperazine, 1-(8-chloro-10,11-dihydro-3-methoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, S-oxide, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 3-chloro-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
CAS: 69231-72-7
| Molecular Formula | C24H27ClN2O6S |
|---|---|
| Molecular Weight | 506.12784 g/mol |
| LogP | 3.0717 |
| Topological Polar Surface Area | 107.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 506.12784 |
| Monoisotopic Mass | 506.12784 |
| Heavy Atoms | 34 |
| Complexity | 1098.6372 |
Chemical Identifiers
| CAS Number | 69231-72-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=C(C=C(C=C3)OC)S(=O)C4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095917 (CAS 69231-72-7), with molecular formula C24H27ClN2O6S and molecular weight 506.12784 g/mol. IUPAC: (E)-but-2-enedioic acid;3-chloro-9-methoxy-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide.
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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