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Chloramphenicol 3-O-beta-D-Glucuronide

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For Research Use Only | Not For Clinical Use
CATAPS39751332
CAS39751-33-2
Structure
SynonymsChloramphenicol 3-O-β-D-Glucuronide,Chloramphenicol Glucuronide
IUPAC Name(2S,3S,4S,5R,6R)-6-[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight499.25
Molecular FormulaC17H20Cl2N2O11
Canonical SMILESO[C@@H]([C@@H](CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)NC(=O)C(Cl)Cl)c2ccc(cc2)[N+](=O)[O-]
InChIInChI=1S/C17H20Cl2N2O11/c18-14(19)15(26)20-8(9(22)6-1-3-7(4-2-6)21(29)30)5-31-17-12(25)10(23)11(24)13(32-17)16(27)28/h1-4,8-14,17,22-25H,5H2,(H,20,26)(H,27,28)/t8-,9-,10+,11+,12-,13+,17-/m1/s1
Accurate Mass498.0444
FormatNeat
TypeMetabolite
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