2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate
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2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate
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CAS No:
128008-97-9
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Formula:
C27H39NO6S
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Chemical Name:
2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate
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Synonyms:
6-acetyloxy-3,4-dihydro-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-ethaniminium 4-methylbenzene sulfonate;MDL 74270;MDL-74270;128008-97-9;Mdl 74270;Mdl-74270;mdl74270;SCHEMBL9094867;DTXSID00926054;6-Acetyloxy-3,4-dihydro-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-ethaniminium 4-methylbenzene sulfonate;2-[6-(Acetyloxy)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-N,N,N-trimethylethan-1-aminium 4-methylbenzene-1-sulfonate;2H-1-Benzopyran-2-ethanaminium, 6-(acetyloxy)-3,4-dihydro-N,N,N,2,5,7,8-heptamethyl-, salt with 4-methylbenzenesulfonic acid (1:1)
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CAS No:
2-(6-acetyloxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl-trimethylazanium;4-methylbenzenesulfonate Basic Attributes
505.7 g/mol
505.24980914 g/mol
Drug Information
6-acetyloxy-3,4-dihydro-N,N,N,2,5,7,8-heptamethyl-2H-1-benzopyran-2-ethaniminium 4-methylbenzene sulfonate
Computed Properties
Molecular Weight:505.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:505.24980914
Monoisotopic Mass:505.24980914
Topological Polar Surface Area:101
Heavy Atom Count:35
Complexity:651
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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