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188696-80-2 | Phosphonic acid, P-[[[(1,2,3,4-tetrahydro-7-nitro-2,3-dioxo-5-quinoxalinyl)methyl]amino]methyl]-
CAS No: 188696-80-2 Catalog No: AG002H5L MDL No:
Product Description
Catalog Number:
AG002H5L
Chemical Name:
Phosphonic acid, P-[[[(1,2,3,4-tetrahydro-7-nitro-2,3-dioxo-5-quinoxalinyl)methyl]amino]methyl]-
CAS Number:
188696-80-2
Molecular Formula:
C10H11N4O7P
Molecular Weight:
330.1907
IUPAC Name:
[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]methylphosphonic acid
InChI:
InChI=1S/C10H11N4O7P/c15-9-10(16)13-8-5(3-11-4-22(19,20)21)1-6(14(17)18)2-7(8)12-9/h1-2,11H,3-4H2,(H,12,15)(H,13,16)(H2,19,20,21)
InChI Key:
ABFMMCZFKUIJGQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(CNCP(=O)(O)O)c2c(c1)[nH]c(=O)c(=O)[nH]2
UNII:
X3D0O800AJ
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.037g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
330.193g/mol
Monoisotopic Mass:
330.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4
Literature
| Title | Journal |
|---|---|
| alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) antagonists: from bench to bedside. | Journal of medicinal chemistry 20100812 |
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