threo-4-Hydroxy Ritalinic Acid N-Glucuronide

Analyte Name

threo-4-Hydroxy Ritalinic Acid N-Glucuronide

Molecular Formula

C19 H25 N O9

Molecular Weight

411.403

Accurate Mass

411.153

SMILES

O[C@H]1[C@H](O)[C@H](O[C@H]([C@@H]1O)C(=O)O)N2CCCC[C@@H]2[C@H](C(=O)O)c3ccc(O)cc3

InChI

InChI=1S/C19H25NO9/c21-10-6-4-9(5-7-10)12(18(25)26)11-3-1-2-8-20(11)17-15(24)13(22)14(23)16(29-17)19(27)28/h4-7,11-17,21-24H,1-3,8H2,(H,25,26)(H,27,28)/t11-,12-,13-,14-,15+,16-,17+/m1/s1

IUPAC

(2R,3R,4R,5S,6S)-6-[(2R)-2-[(R)-carboxy-(4-hydroxyphenyl)methyl]piperidin-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat