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(C=C3C=C(NC(=O)NC4=CC5=C(C=C4)C(O)=C(\N=N\C6=C(C)C=C(C=C6)S([O-])(=O)=O)C(=C5)S([O-])(=O)=O)C=CC3=C2O)S([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 | 22.98976928 |
| 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
Mon Mar 31 23:28:07 GMT 2025
by
admin
on
Mon Mar 31 23:28:07 GMT 2025
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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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DC7CBG2708
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DTXSID90889543
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6420-44-6
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1265911-96-3
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ALTERNATIVE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |