Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H8N4O11S2.2Na |
| Molecular Weight | 542.364 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].OC1=C2C=CC(=CC2=CC(=C1\N=N\C3=CC=C(C=C3[N+]([O-])=O)[N+]([O-])=O)S([O-])(=O)=O)S([O-])(=O)=O
InChI
InChIKey=XBLIFEQTVVSTIM-QIKYXUGXSA-L
InChI=1S/C16H10N4O11S2.2Na/c21-16-11-3-2-10(32(26,27)28)5-8(11)6-14(33(29,30)31)15(16)18-17-12-4-1-9(19(22)23)7-13(12)20(24)25;;/h1-7,21H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2/b18-17+;;
| Molecular Formula | C16H8N4O11S2 |
| Molecular Weight | 496.385 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:06:31 GMT 2025
by
admin
on
Mon Mar 31 18:06:31 GMT 2025
|
| Record UNII |
4U1WVN6KUX
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C461
Created by
admin on Mon Mar 31 18:06:31 GMT 2025 , Edited by admin on Mon Mar 31 18:06:31 GMT 2025
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| Code System | Code | Type | Description | ||
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5423-07-4
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C66368
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admin on Mon Mar 31 18:06:31 GMT 2025 , Edited by admin on Mon Mar 31 18:06:31 GMT 2025
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C013617
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9360
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DTXSID0063866
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admin on Mon Mar 31 18:06:31 GMT 2025 , Edited by admin on Mon Mar 31 18:06:31 GMT 2025
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226-549-8
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admin on Mon Mar 31 18:06:31 GMT 2025 , Edited by admin on Mon Mar 31 18:06:31 GMT 2025
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4U1WVN6KUX
Created by
admin on Mon Mar 31 18:06:31 GMT 2025 , Edited by admin on Mon Mar 31 18:06:31 GMT 2025
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CHEMBL2110712
Created by
admin on Mon Mar 31 18:06:31 GMT 2025 , Edited by admin on Mon Mar 31 18:06:31 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
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