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

【InChIKey】

InChIKey=ABOLXXZAJIAUGR-JPMMFUSZSA-N

【SMILES】

CC(C)Cc1ccc(cc1)C(C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

【MOL File】

IBUPROFEN ACYL-BETA-….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:4

H bond acceptor:8

XLogP3:1.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

IBUPROFEN ACYL-BETA-D-GLUCURONIDE.cml

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1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】