3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride
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![3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/12c76938bd3140abaf7783c9c355e072.png "3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride")
3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride
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CAS No:
32859-71-5
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Formula:
C19H23Cl3N2O2S
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Chemical Name:
3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride
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Synonyms:
32859-71-5;1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine S,4-dioxide 2HCl;Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,4-dioxide, dihydrochloride;DTXSID20954511;2-Chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f]thiepin-5-one--hydrogen chloride (1/2)
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CAS No:
3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide;dihydrochloride Basic Attributes
449.8 g/mol
448.054582 g/mol
Computed Properties
Molecular Weight:449.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:448.054582
Monoisotopic Mass:448.054582
Topological Polar Surface Area:57.6
Heavy Atom Count:27
Complexity:512
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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