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

• ChemBase ID: 106023
• Molecular Formular: C12H8N4Na2O7S
• Molecular Mass: 398.25906
• Monoisotopic Mass: 397.99090818
• SMILES: O.[Na+].[Na+].NS(=O)(=O)c1cccc2c3nc([O-])c([O-])nc3cc(c12)[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1cc2nc([O-])c(nc2c2c1c(ccc2)S(=O)(=O)N)[O-].O.[Na+].[Na+]
• InChI: InChI=1S/C12H8N4O6S.2Na.H2O/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);;;1H2/q;2*+1;/p-2
• InChIKey: LQSCHRKYVVVUFA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate) hydrate
• IUPAC Traditional name: disodium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate) hydrate; dipotassium 6-nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-bis(olate) hydrate
• Synonyms: 1,2,3,4-Tetrahydro-6-nitro-2,3-dioxo-benzo[f]quinoxaline-7-sulfonamide disodium salt hydrate; FG 9202 disodium salt hydrate; NBQX disodium salt hydrate; NBQX

Database IDs

• CAS Number: 118876-58-7(freeacid); 118876-58-7
• MDL Number: MFCD12910445
• PubChem SID: 162092863; 24277996
• PubChem CID: 44134842

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: H2O: >10 mg/mL
• Apperance: , brown to dark red-brown lyophilized solid

Safety Information

• Storage Condition: desiccated
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... GRIA1(2890), GRIA2(2891), GRIA3(2892), GRIA4(2893), GRIK1(2897), GRIK2(2898), GRIK3(2899), GRIK4(2900), GRIK5(2901)

Product Information

• Purity: ≥95%; ≥98% (HPLC)

DETAILS

MP Biomedicals - 02195945

(FG 9202; 6-Nitro-7-sulphamoylbenzo[f]quinoxaline-2,3-dione; 2,3-Dihydroxy-6-nitro-7-sulphamoylbenzo[f]quinoxaline)
Purity: ≥95%
Selective and potent AMPA/Kainate receptor antagonist. Acts as a neuroprotectant.

Sigma Aldrich - N183

Biochem/physiol Actions
NBQX disodium salt hydrate is a neuroprotective AMPA/kainate glutamate receptor antagonist.