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118876-58-7 molecular structure
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6-nitro-2,3-dioxo-1H,2H,3H,4H-benzo[f]quinoxaline-7-sulfonamide

ChemBase ID: 128558
Molecular Formular: C12H8N4O6S
Molecular Mass: 336.28012
Monoisotopic Mass: 336.016455
SMILES and InChIs

SMILES:
[O-][N+](=O)c1cc2c(c3cccc(c13)S(=O)(=O)N)[nH]c(=O)c(=O)[nH]2
Canonical SMILES:
[O-][N+](=O)c1cc2[nH]c(=O)c(=O)[nH]c2c2c1c(ccc2)S(=O)(=O)N
InChI:
InChI=1S/C12H8N4O6S/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)
InChIKey:
UQNAFPHGVPVTAL-UHFFFAOYSA-N

Cite this record

CBID:128558 http://www.chembase.cn/molecule-128558.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-nitro-2,3-dioxo-1H,2H,3H,4H-benzo[f]quinoxaline-7-sulfonamide
IUPAC Traditional name
NBQX
Synonyms
NBQX
1,2,3,4-Tetrahydro-6-nitro-2,3-dioxo-benzo[f]quinoxaline-7-sulfonamide
NBQX
6-Nitro-7-sulfamoylbenzo[f]quinoxaline-2,3-Dione
CAS Number
118876-58-7
PubChem SID
162222865
PubChem CID
3272524
CHEMBL
222519
Chemspider ID
2521927
KEGG ID
C13667
Wikipedia Title
NBQX

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
TRC
N550000 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.360603  H Acceptors
H Donor LogD (pH = 5.5) 0.16704363 
LogD (pH = 7.4) 0.16278279  Log P 0.16709812 
Molar Refractivity 80.868 cm3 Polarizability 30.513304 Å3
Polar Surface Area 164.18 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetonitrile expand Show data source
DMSO expand Show data source
Soluble to 100 mM in DMSO expand Show data source
Apperance
brown/red powder expand Show data source
Yellow Solid expand Show data source
Melting Point
>300°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Freezer at -20°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia TRC TRC
Toronto Research Chemicals - N550000 external link
A potent and discriminating antagonist for AMPA binding sites.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • 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)
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PATENTS

PATENTS

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INTERNET

INTERNET

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