Clioquinol glucuronide

(2S,3S,4S,5R,6S)-6-(5-chloro-7-iodoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: Clioquinol glucuronide|CHINOFORM GLUCURONIDE|1-phenyl-1H-1,2,3-triazole-4-carboxaldehyde|5-CHLORO-7-IODO-8-QUINOLINOL GLUCURONIDE|5-CHLORO-7-IODO-8-QUINOLYL .BETA.-D-GLUCURONIDE|beta-D-Glucopyranosiduronic acid, 5-chloro-7-iodo-8-quinolinyl|(2S,3S,4S,5R,6S)-6-(5-chloro-7-iodoquinolin-8-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|b-D-Glucopyranosiduronic acid,5-chloro-7-iodo-8-quinolinyl|5-Chloro-7-iodoquinolin-8-yl beta-D-glucopyranosiduronic acid|b-D-Glucopyranosiduronic acid,5-chloro-7-iodo-8-quinolinyl(9ci)|.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-CHLORO-7-IODO-8-QUINOLINYL|B-D-GLUCOPYRANOSIDURONIC ACID,5-CHLORO-7-IODO-8-QUINOLINYL (9CI)

Molecular Formula	C15H13ClINO7
Molecular Weight	480.94254 g/mol
LogP	0.76
Topological Polar Surface Area	129.34 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	480.94254
Heavy Atoms	25
Complexity	819.8

Chemical Identifiers

CAS Number	34296-97-4
SMILES	C1=CC2=C(C(=C(C=C2Cl)I)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)N=C1