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Chemical structure of 1-Naphthyl 3,5-dinitrobenzoate

GC13379

1-Naphthyl 3,5-dinitrobenzoate

Also known as naphthalen-1-yl 3,5-dinitrobenzoate

dual 5-lipoxygenase and microsomal prostaglandin E synthase-1 inhibitor

ChemicalCAS93261-39-3MW338.3FormulaC17H10N2O6
CAS number
93261-39-3
Molecular weight
338.3
Formula
C17H10N2O6
Solubility
≤0·1mg/ml in methanol;0·5mg/ml in DMSO
InChIKey
WYKPSINHJUWDHK-UHFFFAOYSA-N
Catalogue number
GC13379
Brand
GLPBIO
Computed properties PubChem CID 1822643 · XLogP 4.1 · TPSA 118 Ų · H-bond donors 0
XLogP
4.1
TPSA
118 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

SMILES C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Computed descriptors from PubChem (CID 1822643), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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