Piperazinium, 1-butyl-1-methyl-4-[[(2R,3S)-2,3,4,5-tetrahydro-4-oxo-2-phenyl-1,5-benzothiazepin-3-yl]methyl]-, bromide, rel-
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![Piperazinium, 1-butyl-1-methyl-4-[[(2R,3S)-2,3,4,5-tetrahydro-4-oxo-2-phenyl-1,5-benzothiazepin-3-yl]methyl]-, bromide, rel- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/cd6cd9e8e3904e19b08e4e129614b094.png "Piperazinium, 1-butyl-1-methyl-4-[[(2R,3S)-2,3,4,5-tetrahydro-4-oxo-2-phenyl-1,5-benzothiazepin-3-yl]methyl]-, bromide, rel-")
Piperazinium, 1-butyl-1-methyl-4-[[(2R,3S)-2,3,4,5-tetrahydro-4-oxo-2-phenyl-1,5-benzothiazepin-3-yl]methyl]-, bromide, rel-
structure -
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CAS No:
107784-01-0
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Formula:
C25H34N3OS.Br
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Chemical Name:
Piperazinium, 1-butyl-1-methyl-4-[[(2R,3S)-2,3,4,5-tetrahydro-4-oxo-2-phenyl-1,5-benzothiazepin-3-yl]methyl]-, bromide, rel-
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Synonyms:
Piperazinium,1-butyl-1-methyl-4-[[(2R,3S)-2,3,4,5-tetrahydro-4-oxo-2-phenyl-1,5-benzothiazepin-3-yl]methyl]-,bromide,rel-;Piperazinium,1-butyl-1-methyl-4-[(2,3,4,5-tetrahydro-4-oxo-2-phenyl-1,5-benzothiazepin-3-yl)methyl]-,bromide,cis-;BTM 1073
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CAS No:
Piperazinium, 1-butyl-1-methyl-4-[[(2R,3S)-2,3,4,5-tetrahydro-4-oxo-2-phenyl-1,5-benzothiazepin-3-yl]methyl]-, bromide, rel- Basic Attributes
504.5 g/mol
503.16060 g/mol
Drug Information
2,3-dihydro-3-(4-methylpiperazinylbutyl bromide)-2-phenyl-1,5-benzothiazepin-4(5H)-one
Computed Properties
Molecular Weight:504.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:503.16060
Monoisotopic Mass:503.16060
Topological Polar Surface Area:57.6
Heavy Atom Count:31
Complexity:557
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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