Analyte Name

(R)-Propranolol beta-D-Glucuronide Sodium Salt

CAS Number

87102-70-3

Molecular Formula

C22 H28 N O8 . Na

Molecular Weight

457.449

Accurate Mass

457.171

SMILES

[Na+].CC(C)NC[C@H](COc1cccc2ccccc12)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-]

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-;/m1./s1

IUPAC

sodium;(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R)-1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-yl]oxyoxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat