Details
Stereochemistry | ACHIRAL |
Molecular Formula | C40H38N12O8S2.2Na |
Molecular Weight | 924.915 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[O-]S(=O)(=O)C1=CC(NC2=NC(=NC(NC3=CC=CC=C3)=N2)N4CCOCC4)=CC=C1\C=C\C5=C(C=C(NC6=NC(=NC(NC7=CC=CC=C7)=N6)N8CCOCC8)C=C5)S([O-])(=O)=O
InChI
InChIKey=VUJGKADZTYCLIL-YHPRVSEPSA-L
InChI=1S/C40H40N12O8S2.2Na/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52;;/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
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 | C40H38N12O8S2 |
Molecular Weight | 878.935 |
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 17:24:04 UTC 2023
by
admin
on
Fri Dec 15 17:24:04 UTC 2023
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Record UNII |
Q1O8YPR146
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Record Status |
Validated (UNII)
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Record Version |
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-
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16090-02-1
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6433657
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240-245-2
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Q1O8YPR146
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5061
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DTXSID0027777
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