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Chemical structure of Etoricoxib D4

GC36014

Etoricoxib D4

Also known as 5-chloro-2-(6-methyl-3-pyridinyl)-3-(2,3,5,6-tetradeuterio-4-methylsulfonylphenyl)pyridine

Etoricoxib D4 (MK-0663 D4) is a deuterium labeled Etoricoxib

ChemicalCAS1131345-14-6MW362.87FormulaC18H11D4ClN2O2S
CAS number
1131345-14-6
Molecular weight
362.87
Formula
C18H11D4ClN2O2S
Solubility
DMSO ： 100 mg/mL (275·58 mM; Need ultrasonic)
InChIKey
MNJVRJDLRVPLFE-KDWZCNHSSA-N
Catalogue number
GC36014
Brand
GLPBIO
Computed properties PubChem CID 25224662 · XLogP 3.3 · TPSA 68.3 Ų · H-bond donors 0
XLogP
3.3
TPSA
68.3 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24

SMILES [2H]C1=C(C(=C(C(=C1C2=C(N=CC(=C2)Cl)C3=CN=C(C=C3)C)[2H])[2H])S(=O)(=O)C)[2H]

Computed descriptors from PubChem (CID 25224662), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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