N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonate
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![N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b740c0d0489046c19461e0a320e7a766.png "N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonate")
N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonate
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CAS No:
39841-98-0
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Formula:
C22H31N3O5S3
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Chemical Name:
N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonate
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Synonyms:
39841-98-0;Dibenzo(b,f)thiepin-8-sulfonamide, 10,11-dihydro-N,N-dimethyl-10-(4-methyl-1-piperazinyl)-, methanesulfonate, hydrate (1:1:1);N,N-dimethyl-6-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-8-sulfonamide; methanesulfonate
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CAS No:
N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonate Basic Attributes
513.7 g/mol
513.14258462 g/mol
Computed Properties
Molecular Weight:513.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:513.14258462
Monoisotopic Mass:513.14258462
Topological Polar Surface Area:144
Heavy Atom Count:33
Complexity:707
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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