Analyte Name

Hydroxy Iloperidone beta-D-Glucuronide-d4

Molecular Formula

C30 D4 H33 F N2 O10

Molecular Weight

608.645

Accurate Mass

608.268

SMILES

[2H]C([2H])([2H])C([2H])(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)c2ccc(OCCCN3CCC(CC3)c4noc5cc(F)ccc45)c(OC)c2

InChI

InChI=1S/C30H37FN2O10/c1-16(41-30-27(36)25(34)26(35)28(42-30)29(37)38)18-4-7-21(23(14-18)39-2)40-13-3-10-33-11-8-17(9-12-33)24-20-6-5-19(31)15-22(20)43-32-24/h4-7,14-17,25-28,30,34-36H,3,8-13H2,1-2H3,(H,37,38)/t16?,25-,26-,27+,28-,30+/m0/s1/i1D3,16D

IUPAC

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[1,2,2,2-tetradeuterio-1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethoxy]oxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat