Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C36H34N12O8S2.2Na |
| Molecular Weight | 872.84 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].OCCNC1=NC(NC2=CC=CC=C2)=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(NCCO)=NC(NC6=CC=CC=C6)=N5)C=C4S([O-])(=O)=O)C(=C3)S([O-])(=O)=O)=N1
InChI
InChIKey=HIMNALZNLAOESZ-YHPRVSEPSA-L
InChI=1S/C36H36N12O8S2.2Na/c49-19-17-37-31-43-33(39-25-7-3-1-4-8-25)47-35(45-31)41-27-15-13-23(29(21-27)57(51,52)53)11-12-24-14-16-28(22-30(24)58(54,55)56)42-36-46-32(38-18-20-50)44-34(48-36)40-26-9-5-2-6-10-26;;/h1-16,21-22,49-50H,17-20H2,(H,51,52,53)(H,54,55,56)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2/b12-11+;;
| Molecular Formula | C36H34N12O8S2 |
| Molecular Weight | 826.861 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| 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
Mon Mar 31 23:02:14 GMT 2025
by
admin
on
Mon Mar 31 23:02:14 GMT 2025
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| Record UNII |
744Q3056O7
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| Record Status |
Validated (UNII)
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| Record Version |
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DTXSID70889667
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