Details
Stereochemistry | ACHIRAL |
Molecular Formula | C17H13N3O6.2Na.2H2O |
Molecular Weight | 437.3117 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Na+].[Na+].OC1=CC=C(C=C1C([O-])=O)\N=N\C2=CC=C(C=C2)C(=O)NCCC([O-])=O
InChI
InChIKey=XDCNKOBSQURQOZ-MVIJUDHYSA-L
InChI=1S/C17H15N3O6.2Na.2H2O/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;;2*1H2/q;2*+1;;/p-2/b20-19+;;;;
Molecular Formula | HO |
Molecular Weight | 17.0073 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C17H15N3O6 |
Molecular Weight | 357.3175 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:44:10 UTC 2023
by
admin
on
Fri Dec 15 15:44:10 UTC 2023
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Record UNII |
1XL6BJI034
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C257
Created by
admin on Fri Dec 15 15:44:10 UTC 2023 , Edited by admin on Fri Dec 15 15:44:10 UTC 2023
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FDA ORPHAN DRUG |
208205
Created by
admin on Fri Dec 15 15:44:10 UTC 2023 , Edited by admin on Fri Dec 15 15:44:10 UTC 2023
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Code System | Code | Type | Description | ||
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1048255
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PRIMARY | |||
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SUB35314
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1XL6BJI034
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CHEMBL1201346
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150399-21-6
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59164
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300000023111
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C47409
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GG-25
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1XL6BJI034
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153718
Created by
admin on Fri Dec 15 15:44:10 UTC 2023 , Edited by admin on Fri Dec 15 15:44:10 UTC 2023
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DBSALT000835
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m2208
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admin on Fri Dec 15 15:44:10 UTC 2023 , Edited by admin on Fri Dec 15 15:44:10 UTC 2023
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PRIMARY | Merck Index | ||
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760046
Created by
admin on Fri Dec 15 15:44:10 UTC 2023 , Edited by admin on Fri Dec 15 15:44:10 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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IMPURITY -> PARENT |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |