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Chemical structure of Nilotinib D6

GC60270

Nilotinib D6

Also known as 2,3,6-trideuterio-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-4-(trideuteriomethyl)benzamide

An internal standard for the quantification of nilotinib

ChemicalCAS1268356-17-7MW535.55FormulaC28H16D6F3N7O
CAS number
1268356-17-7
Molecular weight
535.55
Formula
C28H16D6F3N7O
Solubility
DMF: 3 mg/ml,DMSO: 10 mg/ml
InChIKey
HHZIURLSWUIHRB-AGINCAKFSA-N
Catalogue number
GC60270
Brand
GLPBIO
Computed properties PubChem CID 131667930 · XLogP 4.9 · TPSA 97.6 Ų · H-bond donors 2
XLogP
4.9
TPSA
97.6 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
39

SMILES [2H]C1=C(C(=C(C(=C1C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)[2H])NC4=NC=CC(=N4)C5=CN=CC=C5)C([2H])([2H])[2H])[2H]

Computed descriptors from PubChem (CID 131667930), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Pricing
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