Analyte Name

rac Propranolol-d7 beta-D-Glucuronide Sodium Salt

Molecular Formula

C22 D7 H21 N Na O8

Molecular Weight

464.493

Accurate Mass

464.215

SMILES

[2H]C([2H])([2H])C([2H])(NCC(COc1cccc2ccccc12)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O[Na])C([2H])([2H])[2H]

InChI

InChI=1S/C22H29NO8.Na/c1-12(2)23-10-14(11-29-16-9-5-7-13-6-3-4-8-15(13)16)30-22-19(26)17(24)18(25)20(31-22)21(27)28;/h3-9,12,14,17-20,22-26H,10-11H2,1-2H3,(H,27,28);/q;+1/p-1/t14?,17-,18-,19+,20-,22+;/m0./s1/i1D3,2D3,12D;

IUPAC

[(2S,3S,4S,5R,6R)-6-[1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-naphthalen-1-yloxypropan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carbonyl]oxysodium

Unlabelled CAS Number

87102-70-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat