(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Catalog No. :: ACICWO291
CAS No. :: 535920-98-0
Molecular Formula :: C20H21N3O8
Molecular Weight :: 431.40

IUPAC Name:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid structure diagram

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Product Name	(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Molecular Formula	C20H21N3O8
Molecular Weight	431.40
SMILES	O=C(O)[C@H]1O[C@@H](OC(=O)N2CC3CC(C2)C2=CC4=NC=CN=C4C=C23)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key	FXQDTLDLQVLSRG-NUGMQPMESA-N
Synonym	Varenicline Carbamoyl β-D-Glucuronide;1-(6,7,9,10-Tetrahydro-6,10-Methano-8H-pyrazino[2,3-h][3]benzazepin-8-carboxylate);β-D-Glucopyranuronic acid, 1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxylate);Varenicline Carbamoyl \|A-D-Glucuronide;Varenicline Impurity 41
CAS No.	535920-98-0

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ACICWO291535920-98-0

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ACICWO291535920-98-0

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(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

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1. ACICWO291 Molecular Building Block Synthetic Route

2. ACICWO291 Molecular Building Block Synthetic Route

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(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbonyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

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Synthetic Route by SureRoute

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxalin-8-yl)tetrahydro-2H-pyran-3,4,5-triol

(2S,3S,4S,5R,6S)-6-((((1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl)(methyl)carbamoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

(3R,4R,5R,6R)-3,4,5-trihydroxy-6-((((R)-4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)carbamoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

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