Analyte Name

Baclofen Lactose Adduct

Molecular Formula

C22 H32 Cl N O12

Molecular Weight

537.942

Accurate Mass

537.161

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(NCC(CC(=O)O)c3ccc(Cl)cc3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O

InChI

InChI=1S/C22H32ClNO12/c23-11-3-1-9(2-4-11)10(5-14(27)28)6-24-21-18(32)17(31)20(13(8-26)34-21)36-22-19(33)16(30)15(29)12(7-25)35-22/h1-4,10,12-13,15-22,24-26,29-33H,5-8H2,(H,27,28)/t10?,12-,13-,15+,16+,17-,18-,19-,20-,21?,22+/m1/s1

IUPAC

3-(4-chlorophenyl)-4-[[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]amino]butanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat