4-[(1S,5S)-9-[(1S,5R)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid;4-methylbenzenesulfonic acid
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![4-[(1S,5S)-9-[(1S,5R)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid;4-methylbenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/d63e4f015b8c490998b5b553c3f8e7f1.png "4-[(1S,5S)-9-[(1S,5R)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid;4-methylbenzenesulfonic acid")
4-[(1S,5S)-9-[(1S,5R)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid;4-methylbenzenesulfonic acid
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CAS No:
1206616-99-0
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Formula:
C33H41N3O6S
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Chemical Name:
4-[(1S,5S)-9-[(1S,5R)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid;4-methylbenzenesulfonic acid
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Synonyms:
UNII-TU23266V12;TU23266V12;Sunobinop tosylate;V117957 tosylate;V-117957 tosylate;1206616-99-0;2-Quinoxalinecarboxylic acid, 4-((3-endo)-9-(3-exo)-bicyclo(3.3.1)non-3-yl-9-azabicyclo(3.3.1)non-3-yl)-3,4-dihydro-3-oxo-, 4-methylbenzenesulfonate (1:1)
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CAS No:
4-[(1S,5S)-9-[(1S,5R)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid;4-methylbenzenesulfonic acid Basic Attributes
607.8 g/mol
607.27160721 g/mol
TU23266V12
Computed Properties
Molecular Weight:607.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:607.27160721
Monoisotopic Mass:607.27160721
Topological Polar Surface Area:136
Heavy Atom Count:43
Complexity:978
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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