3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride
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![3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/85871ad7f9244680a4cc7f709628a792.png "3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride")
3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride
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CAS No:
32859-69-1
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Formula:
C21H27Cl3N2O2S
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Chemical Name:
3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride
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Synonyms:
32859-69-1;Oxyclothepin N-oxide dihydrochloride;4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol 1-oxide 2HCl;1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, 1-oxide, dihydrochloride;DTXSID60954510;3-[4-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-oxo-1lambda~5~-piperazin-1-yl]propan-1-ol--hydrogen chloride (1/2)
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CAS No:
3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol;dihydrochloride Basic Attributes
477.9 g/mol
476.085882 g/mol
Computed Properties
Molecular Weight:477.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:476.085882
Monoisotopic Mass:476.085882
Topological Polar Surface Area:66.8
Heavy Atom Count:29
Complexity:489
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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