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Product Code

TRC-E568909

CAS Number

1131345-14-6

Product Format

Neat

Molecular Formula

C18 D4 H11 Cl N2 O2 S

Molecular Weight

362.867

Product Categories

TRC, Stable isotopes

Unlabelled CAS Number

202409-33-4

Price and availability

48-hour USA dispatch time
Freight restricted.

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Product Information

Chemical Data

Analyte Name

Etoricoxib-d4

CAS Number

1131345-14-6

Molecular Formula

C18 D4 H11 Cl N2 O2 S

Molecular Weight

362.867

Accurate Mass

362.079

SMILES

[2H]c1c([2H])c(c([2H])c([2H])c1c2cc(Cl)cnc2c3ccc(C)nc3)S(=O)(=O)C

InChI

InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3/i5D,6D,7D,8D

IUPAC

5-chloro-2-(6-methylpyridin-3-yl)-3-(2,3,5,6-tetradeuterio-4-methylsulfonylphenyl)pyridine

Unlabelled CAS Number

202409-33-4

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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