Details
Stereochemistry | ACHIRAL |
Molecular Formula | C35H25N6O13S3.3Na |
Molecular Weight | 902.77 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[Na+].COC1=C(C=CC=C1)\N=N\C2=C(O)C3=CC=C(NC(=O)NC4=CC5=CC(=C(\N=N\C6=C(C)C=C(C=C6)S([O-])(=O)=O)C(O)=C5C=C4)S([O-])(=O)=O)C=C3C=C2S([O-])(=O)=O
InChI
InChIKey=MSBHLDQWHHNCML-WXMKCTNMSA-K
InChI=1S/C35H28N6O13S3.3Na/c1-18-13-23(55(45,46)47)9-12-26(18)38-40-31-29(56(48,49)50)16-19-14-21(7-10-24(19)33(31)42)36-35(44)37-22-8-11-25-20(15-22)17-30(57(51,52)53)32(34(25)43)41-39-27-5-3-4-6-28(27)54-2;;;/h3-17,42-43H,1-2H3,(H2,36,37,44)(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b40-38+,41-39+;;;
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 | C35H25N6O13S3 |
Molecular Weight | 833.8 |
Charge | -3 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 2 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:50:38 GMT 2023
by
admin
on
Sat Dec 16 10:50:38 GMT 2023
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Record UNII |
DC7CBG2708
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Record Status |
Validated (UNII)
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Record Version |
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DTXSID90889543
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6420-44-6
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229-164-3
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1265911-96-3
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admin on Sat Dec 16 10:50:39 GMT 2023 , Edited by admin on Sat Dec 16 10:50:39 GMT 2023
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ALTERNATIVE |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |