3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide;dihydrochloride
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![3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide;dihydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/80e1a63a79ce4456ae83681e954af4ee.png "3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide;dihydrochloride")
3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide;dihydrochloride
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CAS No:
32859-73-7
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Formula:
C19H23Cl3N2O3S
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Chemical Name:
3-chloro-5-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide;dihydrochloride
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Synonyms:
32859-73-7;1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine S,S,4-trioxide 2HCl;Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,S,4-trioxide, dihydrochloride;DTXSID80954512;2-Chloro-11-(4-methyl-4-oxo-4lambda~5~-piperazin-1-yl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f]thiepine-5,5-dione--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 11,11-dioxide;dihydrochloride Basic Attributes
465.8 g/mol
464.049497 g/mol
Computed Properties
Molecular Weight:465.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:464.049497
Monoisotopic Mass:464.049497
Topological Polar Surface Area:63.8
Heavy Atom Count:28
Complexity:615
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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