3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;methanesulfonic acid
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![3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;methanesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8c54d1767006455f9f63abe05ad1a9af.png "3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;methanesulfonic acid")
3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;methanesulfonic acid
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CAS No:
34775-65-0
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Formula:
C23H33ClN2O7S3
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Chemical Name:
3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;methanesulfonic acid
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Synonyms:
34775-65-0;Oxyclothepin dimethanesulfonate;VUFB8,387;1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate;4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol dimethanesulfonate;DTXSID00956255;1-Piperazinepropanal, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt);Methanesulfonic acid--3-[4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]propan-1-ol (2/1)
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CAS No:
3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;methanesulfonic acid Basic Attributes
581.2 g/mol
580.1138426 g/mol
Computed Properties
Molecular Weight:581.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:580.1138426
Monoisotopic Mass:580.1138426
Topological Polar Surface Area:178
Heavy Atom Count:36
Complexity:538
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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