2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate
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2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate
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CAS No:
130573-32-9
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Formula:
C25H37NO5S
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Chemical Name:
2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate
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Synonyms:
3,4-dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-ethanaminium 4-methylbenzenesulfonate;DHHBE;MDL 73404;MDL 74,405;MDL 74405;MDL-73404;MDL-74405;Mdl-73404;DHHBE;Mdl 73404;Mdl 74,405;CHEMBL99134;SCHEMBL9096216;MDL 74405;3,4-Dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-ethanaminium 4-methylbenzenesulfonate;2H-1-Benzopyran-2-ethanaminium, 3,4-dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
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CAS No:
2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate Basic Attributes
463.6 g/mol
463.23924445 g/mol
Drug Information
3,4-dihydro-6-hydroxy-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-ethanaminium 4-methylbenzenesulfonate
Computed Properties
Molecular Weight:463.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:463.23924445
Monoisotopic Mass:463.23924445
Topological Polar Surface Area:95
Heavy Atom Count:32
Complexity:558
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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