Details
Stereochemistry | EPIMERIC |
Molecular Formula | C20H18N6O9S.2Na |
Molecular Weight | 564.436 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[H][C@]12OCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C(C([O-])=O)C4=CC=C(O)C=C4)OC)C([O-])=O
InChI
InChIKey=GRIXGZQULWMCLU-HUTAOCTPSA-L
InChI=1S/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/q;2*+1/p-2/t12?,18-,20+;;/m1../s1
Molecular Formula | C20H18N6O9S |
Molecular Weight | 518.457 |
Charge | -2 |
Count |
|
Stereochemistry | EPIMERIC |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:16:56 UTC 2023
by
admin
on
Fri Dec 15 16:16:56 UTC 2023
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Record UNII |
5APW73W3QZ
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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 |
C357
Created by
admin on Fri Dec 15 16:16:56 UTC 2023 , Edited by admin on Fri Dec 15 16:16:56 UTC 2023
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Code System | Code | Type | Description | ||
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64953-12-4
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SUB02867MIG
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5APW73W3QZ
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258330
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admin on Fri Dec 15 16:16:56 UTC 2023 , Edited by admin on Fri Dec 15 16:16:56 UTC 2023
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265-288-4
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DBSALT001335
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100000090579
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DTXSID0045595
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CHEMBL74632
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441242
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m7642
Created by
admin on Fri Dec 15 16:16:56 UTC 2023 , Edited by admin on Fri Dec 15 16:16:56 UTC 2023
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C66207
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757107
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |