Analyte Name

1-Hydroxy Carvedilol-d3 1-O-beta-D-Glucuronide

Molecular Formula

C30 D3 H31 N2 O11

Molecular Weight

601.616

Accurate Mass

601.235

SMILES

[2H]C([2H])([2H])Oc1ccccc1OCCNCC(O)COc2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c4[nH]c5ccccc5c24

InChI

InChI=1S/C30H34N2O11/c1-39-19-8-4-5-9-20(19)40-13-12-31-14-16(33)15-41-21-10-11-22(24-23(21)17-6-2-3-7-18(17)32-24)42-30-27(36)25(34)26(35)28(43-30)29(37)38/h2-11,16,25-28,30-36H,12-15H2,1H3,(H,37,38)/t16?,25-,26-,27+,28-,30+/m0/s1/i1D3

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[4-[2-hydroxy-3-[2-[2-(trideuteriomethoxy)phenoxy]ethylamino]propoxy]-9H-carbazol-1-yl]oxy]oxane-2-carboxylic acid

Unlabelled CAS Number

131087-98-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat