Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H9N5O9S2.2Li |
Molecular Weight | 457.251 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Li+].[Li+].NNC(=O)NN1C(=O)C2=CC(=CC3=C2C(=CC(=C3N)S([O-])(=O)=O)C1=O)S([O-])(=O)=O
InChI
InChIKey=RPKCZJYDUKVMGF-UHFFFAOYSA-L
InChI=1S/C13H11N5O9S2.2Li/c14-10-5-1-4(28(22,23)24)2-6-9(5)7(3-8(10)29(25,26)27)12(20)18(11(6)19)17-13(21)16-15;;/h1-3H,14-15H2,(H2,16,17,21)(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2
Molecular Formula | C13H9N5O9S2 |
Molecular Weight | 443.369 |
Charge | -2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | Li |
Molecular Weight | 6.941 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3081 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11356107 |
13.0 µM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 03:08:17 GMT 2023
by
admin
on
Sat Dec 16 03:08:17 GMT 2023
|
Record UNII |
MCO2N780C2
|
Record Status |
Validated (UNII)
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Record Version |
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-
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m6923
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PRIMARY | Merck Index |