Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H14Cl2N8O9S2.2Na |
Molecular Weight | 667.367 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CCN1C(=O)C(C(N)=O)=C(C)C(\N=N\C2=CC(NC3=NC(Cl)=NC(Cl)=N3)=C(C=C2S([O-])(=O)=O)S([O-])(=O)=O)=C1O
InChI
InChIKey=KTPJWZKVPDUBMJ-YOYNBWDYSA-L
InChI=1S/C18H16Cl2N8O9S2.2Na/c1-3-28-14(30)11(13(21)29)6(2)12(15(28)31)27-26-8-4-7(22-18-24-16(19)23-17(20)25-18)9(38(32,33)34)5-10(8)39(35,36)37;;/h4-5,31H,3H2,1-2H3,(H2,21,29)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;/q;2*+1/p-2/b27-26+;;
Molecular Formula | C18H14Cl2N8O9S2 |
Molecular Weight | 621.388 |
Charge | -2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
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 19:48:21 GMT 2023
by
admin
on
Fri Dec 15 19:48:21 GMT 2023
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Record UNII |
99955Q89LT
|
Record Status |
Validated (UNII)
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Record Version |
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-
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70865-29-1
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99955Q89LT
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DTXSID40890104
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admin on Fri Dec 15 19:48:21 GMT 2023 , Edited by admin on Fri Dec 15 19:48:21 GMT 2023
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274-956-4
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admin on Fri Dec 15 19:48:21 GMT 2023 , Edited by admin on Fri Dec 15 19:48:21 GMT 2023
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61951-86-8
Created by
admin on Fri Dec 15 19:48:21 GMT 2023 , Edited by admin on Fri Dec 15 19:48:21 GMT 2023
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ALTERNATIVE |