Analyte Name

2-Hydroxy Imipramine-d6 beta-D-Glucuronide

Molecular Formula

C25 D6 H26 N2 O7

Molecular Weight

478.568

Accurate Mass

478.259

SMILES

[2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3cc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)ccc13)C([2H])([2H])[2H]

InChI

InChI=1S/C25H32N2O7/c1-26(2)12-5-13-27-18-7-4-3-6-15(18)8-9-16-14-17(10-11-19(16)27)33-25-22(30)20(28)21(29)23(34-25)24(31)32/h3-4,6-7,10-11,14,20-23,25,28-30H,5,8-9,12-13H2,1-2H3,(H,31,32)/t20-,21-,22+,23-,25+/m0/s1/i1D3,2D3

IUPAC

(2S,3S,4S,5R,6S)-6-[[11-[3-[bis(trideuteriomethyl)amino]propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

54190-76-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat