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Product Code
TRC-A790092-50MG
Product Format
Neat
Molecular Formula
C20H23D7N2O9
Molecular Weight
449.51
Product Categories
Product Type
Stable Isotope LabelledUnlabelled CAS Number
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Analyte Name
Atenolol-d7 beta-D-Glucuronide
Molecular Formula
C20H23D7N2O9
Molecular Weight
449.51
Accurate Mass
449.24
SMILES
O[C@H]1[C@H](O)[C@@H](C(O)=O)O[C@@H](OC(CNC([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])COC2=CC=C(CC(N)=O)C=C2)[C@@H]1O
InChI
InChI=1S/C20H30N2O9/c1-10(2)22-8-13(9-29-12-5-3-11(4-6-12)7-14(21)23)30-20-17(26)15(24)16(25)18(31-20)19(27)28/h3-6,10,13,15-18,20,22,24-26H,7-9H2,1-2H3,(H2,21,23)(H,27,28)/t13?,15-,16-,17+,18?,20+/m0/s1/i1D3,2D3,10D
IUPAC
(2S,3S,4S,5R,6R)-6-((1-(4-(2-amino-2-oxoethyl)phenoxy)-3-((propan-2-yl-d7)amino)propan-2-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
Unlabelled CAS Number
889359-84-6
SIL Type
Deuterium
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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