Details
Stereochemistry | ACHIRAL |
Molecular Formula | C36H34N12O6S2.2Na |
Molecular Weight | 840.841 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CCNC1=NC(NC2=CC=CC=C2)=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(NC6=CC=CC=C6)=NC(NCC)=N5)C=C4S([O-])(=O)=O)C(=C3)S([O-])(=O)=O)=N1
InChI
InChIKey=MMNFJSXNIHPIPR-VRZXRVJBSA-L
InChI=1S/C36H36N12O6S2.2Na/c1-3-37-31-43-33(39-25-11-7-5-8-12-25)47-35(45-31)41-27-19-17-23(29(21-27)55(49,50)51)15-16-24-18-20-28(22-30(24)56(52,53)54)42-36-46-32(38-4-2)44-34(48-36)40-26-13-9-6-10-14-26;;/h5-22H,3-4H2,1-2H3,(H,49,50,51)(H,52,53,54)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2/b16-15+;;
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 | C36H34N12O6S2 |
Molecular Weight | 794.862 |
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
Fri Dec 15 19:50:23 UTC 2023
by
admin
on
Fri Dec 15 19:50:23 UTC 2023
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Record UNII |
NM0B12HGJ3
|
Record Status |
Validated (UNII)
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Record Version |
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-
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NM0B12HGJ3
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24565-13-7
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246-320-6
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6538165
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