5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid
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![5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/87ef4959a5864db89ab1b36facc1f4c4.png "5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid")
5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid
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CAS No:
51723-70-7
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Formula:
C25H39N3O9S4
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Chemical Name:
5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid
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Synonyms:
51723-70-7;DTXSID00966011;Dibenzo(b,f)thiepin-2-sulfonamide, 10,11-dihydro-N,N-dimethyl-11-(4-(3-hydroxypropyl)-1-piperazinyl)-, methanesulfonate, hydrate (2:4:1);Methanesulfonic acid--11-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-10,11-dihydrodibenzo[b,f]thiepine-2-sulfonamide (2/1)
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CAS No:
5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid Basic Attributes
653.9 g/mol
653.15691452 g/mol
Computed Properties
Molecular Weight:653.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:6
Exact Mass:653.15691452
Monoisotopic Mass:653.15691452
Topological Polar Surface Area:223
Heavy Atom Count:41
Complexity:769
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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