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Key Documents

SML3271

Sigma-Aldrich

Etoricoxib

≥95% (HPLC)

Synonym(s):

5-Chloro-3-[4-(methylsulfonyl)phenyl]-2-(2-methyl-5-pyridinyl)pyridine, 5-Chloro-6′-methyl-3-[4-(methylsulfonyl)phenyl]-2,3′-bipyridine

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About This Item

Empirical Formula (Hill Notation):
C18H15ClN2O2S
CAS Number:
Molecular Weight:
358.84
Beilstein:
8073797
MDL number:
UNSPSC Code:
12352107
NACRES:
NA.77

Quality Level

Assay

≥95% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

CC1=NC=C(C2=C(C3=CC=C(S(C)(=O)=O)C=C3)C=C(Cl)C=N2)C=C1

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

InChI key

MNJVRJDLRVPLFE-UHFFFAOYSA-N

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Related Categories

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 2 Dermal - Acute Tox. 4 Oral

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3


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