2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid
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![2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6e90ab40f6094750b4ebcf85617ee5d7.png "2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid")
2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid
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CAS No:
103432-84-4
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Formula:
C24H33FN2O4S2
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Chemical Name:
2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid
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Synonyms:
103432-84-4;DTXSID70908403;1-Piperazineethanol, 4-(3-fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate (salt);4-(3-Fluoro-10,11-dihydro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-1-piperazineethanol monomethanesulfonate (salt);Methanesulfonic acid--2-{4-[3-fluoro-8-(propan-2-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}ethan-1-ol (1/1)
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CAS No:
2-[4-(9-fluoro-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol;methanesulfonic acid Basic Attributes
496.7 g/mol
496.18657805 g/mol
Computed Properties
Molecular Weight:496.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:496.18657805
Monoisotopic Mass:496.18657805
Topological Polar Surface Area:115
Heavy Atom Count:33
Complexity:592
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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