1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(4-methyl-1-piperazinyl)-, maleate (1:2)
bis((Z)-but-2-enedioic acid);4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
Also Known As: 3,4-Dihydro-4-(4-methyl-1-piperazinyl)-1-benzothiepin-5(2H)-one maleate (1:2)|1-BENZOTHIEPIN-5(2H)-ONE, 3,4-DIHYDRO-4-(4-METHYL-1-PIPERAZINYL)-, MALEATE (1:2)|4-(4-Methylpiperazino)-2,3,4,5-tetrahydro-1-benzothiepin-5-one bis(hydrogen maleate)|(Z)-but-2-enedioic acid; 4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
CAS: 21699-91-2
| Molecular Formula | C23H28N2O9S |
|---|---|
| Molecular Weight | 508.15155 g/mol |
| LogP | 1.4047 |
| Topological Polar Surface Area | 172.75 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.15155 |
| Monoisotopic Mass | 508.15155 |
| Heavy Atoms | 35 |
| Complexity | 903.4936 |
Chemical Identifiers
| CAS Number | 21699-91-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2C(=O)C3=CC=CC=C3SCC2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(4-methyl-1-piperazinyl)-, maleate (1:2) (CAS 21699-91-2), with molecular formula C23H28N2O9S and molecular weight 508.15155 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one.
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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