CAS 115075-59-7 Ibuprofen Acyl-Beta-D-glucuronide (mixture of diastereomers)

CAT	APS115075597
CAS	115075-59-7
Structure
IUPAC Name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]oxane-2-carboxylic acid
Molecular Weight	382.40
Molecular Formula	C19H26O8
Canonical SMILES	CC(C)Cc1ccc(cc1)C(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O
InChI	InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1

Accurate Mass	382.1628
Format	Neat
Subcategory	Non-steroidal anti-inflammatory drugs (NSAIDs)

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