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Chemical structure of Teriflunomide impurity 3

GC61764

Teriflunomide impurity 3

Also known as 4-amino-N-[4-(trifluoromethyl)phenyl]benzamide

Teriflunomide impurity 3 (4-Amino-N-(4-trifluoromethylphenyl)benzamide) is a selective COX-1 inhibitor with an IC50 of 30 ?M

ChemicalCAS1011244-72-6MW280.25FormulaC14H11F3N2O
CAS number
1011244-72-6
Molecular weight
280.25
Formula
C14H11F3N2O
Solubility
DMSO: 250 mg/mL (892·06 mM)
InChIKey
YUWBBWHECQSIKL-UHFFFAOYSA-N
Catalogue number
GC61764
Brand
GLPBIO
Computed properties PubChem CID 13609518 · XLogP 2.8 · TPSA 55.1 Ų · H-bond donors 2
XLogP
2.8
TPSA
55.1 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

SMILES C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(F)(F)F)N

Computed descriptors from PubChem (CID 13609518), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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