NBQX

CAT: 0127-BUP12815-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12815-02Size:10 mg

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CAS Number

118876-58-7

Synonyms

FG9202, NBQX disodium salt

Purity

=95%

Smiles

[Na+].[Na+].NS(=O)(=O)c1cccc2c1c(cc1nc([O-])c([O-])nc21)[N+]([O-])=O

Chemical Information

1,2,3,4-Tetrahydro-6-nitro-2,3-dioxobenzo(f)quinoxaline-7-sulfonamide

2,3-Dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline is a member of naphthalenes and a sulfonic acid derivative.

CAS Number	118876-58-7
PubChem CID	3272524
IUPAC Name	6-nitro-2,3-dioxo-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide
Molecular Formula	C12H8N4O6S
Molecular Weight	336.28
XLogP	0.1
Topological Polar Surface Area	173
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	23
Formal Charge	0
Complexity	653

SMILES

C1=CC2=C3C(=CC(=C2C(=C1)S(=O)(=O)N)[N+](=O)[O-])NC(=O)C(=O)N3

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

Chemical Structure

2D Structure

CAS: 118876-58-7

CID: 3272524

Formula: C12H8N4O6S

MW: 336.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.28
XLogP3	0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	336.01645516
Monoisotopic Mass	336.01645516
Topological Polar Surface Area	173 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	653
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes