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Chemical structure of Anti-inflammatory agent 51

GC71352

Anti-inflammatory agent 51

Also known as 3-nitro-4-[4-(4-nitrophenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)benzenesulfonamide

Anti-inflammatory agent 51 (compound 11d) is an amide/sulfonamide derivative with anti-inflammatory activities

ChemicalCAS2911610-03-0MW498.51FormulaC22H22N6O6S
CAS number
2911610-03-0
Molecular weight
498.51
Formula
C22H22N6O6S
Solubility
DMSO : 125 mg/mL (250·75 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
OPKZZQWLEPMJKK-UHFFFAOYSA-N
Catalogue number
GC71352
Brand
GLPBIO
Computed properties PubChem CID 167440168 · XLogP 2.7 · TPSA 166 Ų · H-bond donors 1
XLogP
2.7
TPSA
166 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
35

SMILES C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=C(C=C3)S(=O)(=O)NCC4=CC=CC=N4)[N+](=O)[O-]

Computed descriptors from PubChem (CID 167440168), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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