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Metronidazole Beta-D-Glucuronide

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For Research Use Only | Not For Clinical Use
CATAPS100495985
CAS100495-98-5
Structure
IUPAC Name(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(2-methyl-5-nitroimidazol-1-yl)ethoxy]oxane-2-carboxylic acid
Molecular Weight347.28
Molecular FormulaC12H17N3O9
Canonical SMILESCc1ncc([N+](=O)[O-])n1CCO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O
InChIInChI=1S/C12H17N3O9/c1-5-13-4-6(15(21)22)14(5)2-3-23-12-9(18)7(16)8(17)10(24-12)11(19)20/h4,7-10,12,16-18H,2-3H2,1H3,(H,19,20)/t7-,8-,9+,10-,12+/m0/s1
Accurate Mass347.0965
FormatNeat
SubcategoryAntibiotics
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