RefChem:1063409

8-hydroxy-7-[(2-hydroxy-2-phenylacetyl)amino]quinoline-5-sulfonic acid;dihydrate

Also Known As: 8-Hydroxy-7-((beta-hydroxy-alpha-oxo)phenethylamino)-5-quinolinesulfonic acid dihydrate|8-hydroxy-7-{[hydroxy(phenyl)acetyl]amino}quinoline-5-sulfonic acid dihydrate|2-Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)-2-phenylethanimidic acid--water (1/2)|5-Quinolinesulfonic acid, 8-hydroxy-7-((beta-hydroxy-alpha-oxo)phenethylamino)-, dihydrate|8-hydroxy-7-[(2-hydroxy-2-phenylacetyl)amino]quinoline-5-sulfonic acid dihydrate|Hydroxy-N-(8-hydroxy-5-sulfoquinolin-7-yl)(phenyl)ethanimidic acid--water (1/2)

Molecular Formula	C17H18N2O8S
Molecular Weight	410.0784 g/mol
LogP	0.21
Topological Polar Surface Area	199.82 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	410.0784
Heavy Atoms	28
Complexity	1087.0

Chemical Identifiers

CAS Number	63680-65-9
SMILES	C1=CC=C(C=C1)C(C(=O)NC2=CC(=C3C=CC=NC3=C2O)S(=O)(=O)O)O.O.O