Dibenzo(b,f)thiepin-2-amine, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, trimethanesulfonate
methanesulfonate;[6-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]azanium
| Molecular Formula | C22H35N3O9S4 |
|---|---|
| Molecular Weight | 613.8 g/mol |
| Topological Polar Surface Area | 259.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 613.1256 |
| Heavy Atoms | 38 |
| Complexity | 475.0 |
Chemical Identifiers
| CAS Number | 58721-95-2 |
|---|---|
| SMILES | C[NH+]1CC[NH+](CC1)C2CC3=C(C=CC(=C3)[NH3+])SC4=CC=CC=C24.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-] |
| InChIKey | NSVLDXMDOQTHHB-UHFFFAOYSA-N |
📖 Product Overview
Dibenzo(b,f)thiepin-2-amine, 10,11-dihydro-10-(4-methyl-1-piperazinyl)-, trimethanesulfonate (CAS: 58721-95-2) is a chemical compound with molecular formula C22H35N3O9S4 and molecular weight 613.8 g/mol. Its IUPAC systematic name is methanesulfonate;[6-(4-methylpiperazine-1,4-diium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]azanium.
NSVLDXMDOQTHHB-UHFFFAOYSA-N.
SMILES: C[NH+]1CC[NH+](CC1)C2CC3=C(C=CC(=C3)[NH3+])SC4=CC=CC=C24.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].
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