1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
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![1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/35094607f71f450399bdeea632070536.png "1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid")
1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
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CAS No:
39841-88-8
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Formula:
C25H38N2O7S3
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Chemical Name:
1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
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Synonyms:
39841-88-8;8-(n-Butoxy)-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dimethanesulfonate H2O;Piperazine, 1-(8-butoxy-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, methanesulfonate, hydrate (1:2:1);DTXSID90960407;Methanesulfonic acid--1-(8-butoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1)
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CAS No:
1-(3-butoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid Basic Attributes
574.8 g/mol
574.18411508 g/mol
Computed Properties
Molecular Weight:574.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:5
Exact Mass:574.18411508
Monoisotopic Mass:574.18411508
Topological Polar Surface Area:167
Heavy Atom Count:37
Complexity:546
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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