Analyte Name

rac erythro-Dihydro Bupropion N-beta-D-Glucuronide

Molecular Formula

C19 H28 Cl N O7

Molecular Weight

417.881

Accurate Mass

417.155

SMILES

C[C@H](C(O)c1cccc(Cl)c1)N([C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)C(C)(C)C

InChI

InChI=1S/C19H28ClNO7/c1-9(12(22)10-6-5-7-11(20)8-10)21(19(2,3)4)17-15(25)13(23)14(24)16(28-17)18(26)27/h5-9,12-17,22-25H,1-4H3,(H,26,27)/t9-,12?,13+,14+,15-,16+,17-/m1/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[tert-butyl-[(2R)-1-(3-chlorophenyl)-1-hydroxypropan-2-yl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat