8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-
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![8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/b555c39833144ee5a25af3fb1ff0edca.png "8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-")
8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-
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CAS No:
15130-91-3
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Formula:
C20H29NO6S
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Chemical Name:
8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)-
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Synonyms:
8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-,inner salt,(3-endo)-;1αH,5αH-Tropanium,3α-hydroxy-8-(3-sulfopropyl)-,hydroxide,inner salt,(±)-tropate;8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-,inner salt,endo-(±)-;8-Azoniabicyclo[3.2.1]octane,3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-,inner salt,endo-;8-(3-Sulfopropyl)atropinium hydroxide inner salt;Sultroponium;A 118;A 118 (pharmaceutical);Atropine sulfobetaine;Tropyl tropate sulfobetaine;Sultropan
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CAS No:
8-Azoniabicyclo[3.2.1]octane, 3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-8-(3-sulfopropyl)-, inner salt, (3-endo)- Basic Attributes
411.5 g/mol
411.17155882 g/mol
Computed Properties
Molecular Weight:411.5
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:411.17155882
Monoisotopic Mass:411.17155882
Topological Polar Surface Area:112
Heavy Atom Count:28
Complexity:612
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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