Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H18N12O6S2.2Na |
Molecular Weight | 632.543 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].NC1=NC(NC2=CC(=C(\C=C\C3=CC=C(NC4=NC(N)=NC(N)=N4)C=C3S([O-])(=O)=O)C=C2)S([O-])(=O)=O)=NC(N)=N1
InChI
InChIKey=YQJJAPXXIRNMRI-SEPHDYHBSA-L
InChI=1S/C20H20N12O6S2.2Na/c21-15-27-16(22)30-19(29-15)25-11-5-3-9(13(7-11)39(33,34)35)1-2-10-4-6-12(8-14(10)40(36,37)38)26-20-31-17(23)28-18(24)32-20;;/h1-8H,(H,33,34,35)(H,36,37,38)(H5,21,22,25,27,29,30)(H5,23,24,26,28,31,32);;/q;2*+1/p-2/b2-1+;;
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 | C20H18N12O6S2 |
Molecular Weight | 586.564 |
Charge | -2 |
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
Sat Dec 16 09:46:12 GMT 2023
by
admin
on
Sat Dec 16 09:46:12 GMT 2023
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Record UNII |
V039JA6T43
|
Record Status |
Validated (UNII)
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Record Version |
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-
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26858-65-1
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248-066-1
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V039JA6T43
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6441482
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DTXSID10889601
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15339-39-6
Created by
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