disodium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate)

• ChemBase ID: 175526
• Molecular Formular: C12H6N4Na2O6S
• Molecular Mass: 380.24378
• Monoisotopic Mass: 379.98034349
• SMILES: c12c(cc3c(c1cccc2S(=O)(=O)N)nc(c(n3)[O-])[O-])[N+](=O)[O-].[Na+].[Na+]
• Canonical SMILES: [O-][N+](=O)c1cc2nc([O-])c(nc2c2c1c(ccc2)S(=O)(=O)N)[O-].[Na+].[Na+]
• InChI: InChI=1S/C12H8N4O6S.2Na/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6;;/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22);;/q;2*+1/p-2
• InChIKey: SVJKYIUJRJEABK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate)
• IUPAC Traditional name: disodium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate)
• Synonyms: NBQX, Disodium Salt; 1,2,3,4-Tetrahydro-6-nitro-2,3-dioxo-benzo[f]quinoxaline-7-sulfonamide Disodium Salt; 6-Nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-dione, Disodium Salt

Database IDs

• CAS Number: 479347-86-9
• PubChem SID: 164231436
• PubChem CID: 6098006

CALCULATED PROPERTIES

• Acid pKa: 9.087993
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): 1.4162474
• LogD (pH = 7.4): 1.4078938
• Log P: 1.4163545
• Molar Refractivity: 99.0726 cm^3
• Polarizability: 31.46992 Å^3
• Polar Surface Area: 177.88 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Deep Red-Brown Solid

Safety Information

• Storage Condition: -20°C Freezer
• Storage Warning: Store in Freezer at -20°C

DETAILS

Toronto Research Chemicals - N550005

A potent and discriminating antagonist for AMPA binding sites.

REFERENCES

• Honoré, T., et al.: Science, 241, 701 (1988)
• Gill, et al.: Brain Res., 580, 35 (1988)
• Pook, et al.: Br. J. Pharmacol., 108, 179 (1993)