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(=C(N)C3=CC(=CC(C1=O)=C23)S([O-])(=O)=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
Mon Mar 31 21:16:58 GMT 2025
by
admin
on
Mon Mar 31 21:16:58 GMT 2025
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| Record UNII |
MCO2N780C2
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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PRIMARY | Merck Index |