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Product Overview

Product Code

TRC-A130702

CAS Number

1196151-16-2

Product Format

Neat

Molecular Formula

C21H14D4ClNO6

Molecular Weight

419.86

Product Categories

TRC, Stable isotopes

Product Type

Bioactive small molecule, Stable Isotope Labelled

Documentation

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Product Information

Chemical Data

Analyte Name

Acemetacin-d4

CAS Number

1196151-16-2

Molecular Formula

C21H14D4ClNO6

Molecular Weight

419.86

Accurate Mass

419.11

SMILES

O=C(OCC(O)=O)CC1=C(C)N(C(C2=C([2H])C([2H])=C(Cl)C([2H])=C2[2H])=O)C3=CC=C(OC)C=C31

InChI

InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25)/i3D,4D,5D,6D

IUPAC

2-(2-(1-(4-chlorobenzoyl-2,3,5,6-d4)-5-methoxy-2-methyl-1H-indol-3-yl)acetoxy)acetic acid

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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