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Product Overview

Product Code

TRC-C254492

CAS Number

1330045-90-3

Product Format

Neat

Molecular Formula

C20H24D9N3O4 • HCl

Molecular Weight

425.02

Product Categories

TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards

Product Type

Bioactive small molecule, Stable Isotope Labelled

Unlabelled CAS Number

125638-91-7; Free Base: 1330274-65-1

Documentation

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Product Information

Chemical Data

Analyte Name

(R)-(+)-Celiprolol-d9 Hydrochloride

CAS Number

1330045-90-3

Molecular Formula

C20H24D9N3O4 • HCl

Molecular Weight

425.02

Accurate Mass

424.02

SMILES

CCN(CC)C(NC1=CC(C(C)=O)=C(OC[C@H2]([OH])CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C=C1)=O.Cl

InChI

InChI=1S/C20H33N3O4.ClH/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6;/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26);1H/t16-;/m1./s1/i4D3,5D3,6D3;

IUPAC

(R)-3-(3-acetyl-4-(2-hydroxy-3-((2-(methyl-d3)propan-2-yl-1,1,1,3,3,3-d6)amino)propoxy)phenyl)-1,1-diethylurea hydrogen chloride

Unlabelled CAS Number

125638-91-7; Free Base: 1330274-65-1

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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