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Furosemide Acyl-Beta-D-glucuronide

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For Research Use Only | Not For Clinical Use
CATAPS72967590
CAS72967-59-0
Structure
SynonymsFurosemide glucuronide,β-D-Glucopyranuronic acid, 1-[5-(aminosulfonyl)-4-chloro-2-[(2-furanylmethyl)amino]benzoate], Furosemide Acyl-β-D-glucuronide
IUPAC Name(2S,3S,4S,5R,6S)-6-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight506.87
Molecular FormulaC18H19ClN2O11S
Canonical SMILESNS(=O)(=O)c1cc(C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c(NCc3occc3)cc1Cl
InChIInChI=1S/C18H19ClN2O11S/c19-9-5-10(21-6-7-2-1-3-30-7)8(4-11(9)33(20,28)29)17(27)32-18-14(24)12(22)13(23)15(31-18)16(25)26/h1-5,12-15,18,21-24H,6H2,(H,25,26)(H2,20,28,29)/t12-,13-,14+,15-,18-/m0/s1
Accurate Mass506.0398
FormatNeat
TypeMetabolite
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