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Chemical structure of Etofenamate-d4

GC47323

Etofenamate-d4

Also known as 2-(2-hydroxyethoxy)ethyl 2,3,4,5-tetradeuterio-6-[3-(trifluoromethyl)anilino]benzoate

An internal standard for the quantification of etofenamate

ChemicalCAS1329837-73-1MW373.4FormulaC18H14D4F3NO4
CAS number
1329837-73-1
Molecular weight
373.4
Formula
C18H14D4F3NO4
Solubility
Acetonitrile: soluble,Methanol: soluble
InChIKey
XILVEPYQJIOVNB-ZEJCXXMWSA-N
Catalogue number
GC47323
Brand
GLPBIO
Computed properties PubChem CID 71316691 · XLogP 4.7 · TPSA 67.8 Ų · H-bond donors 2
XLogP
4.7
TPSA
67.8 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
26

SMILES [2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F)[2H])[2H]

Computed descriptors from PubChem (CID 71316691), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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