Details
Stereochemistry | ACHIRAL |
Molecular Formula | C44H34N12O6S2.2Na |
Molecular Weight | 936.927 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
Stereo Comments | Assumed E-isomer |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].[O-]S(=O)(=O)C1=CC(NC2=NC(NC3=CC=CC=C3)=NC(NC4=CC=CC=C4)=N2)=CC=C1\C=C\C5=CC=C(NC6=NC(NC7=CC=CC=C7)=NC(NC8=CC=CC=C8)=N6)C=C5S([O-])(=O)=O
InChI
InChIKey=HOSFCSQXJQXSIQ-ZPZFBZIMSA-L
InChI=1S/C44H36N12O6S2.2Na/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34;;/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56);;/q;2*+1/p-2/b22-21+;;
Molecular Formula | C44H34N12O6S2 |
Molecular Weight | 890.948 |
Charge | -2 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
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
Sat Dec 16 08:02:34 UTC 2023
by
admin
on
Sat Dec 16 08:02:34 UTC 2023
|
Record UNII |
CRN2143Y31
|
Record Status |
Validated (UNII)
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Record Version |
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-
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6436869
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205-117-2
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133-66-4
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DTXSID90889422
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admin on Sat Dec 16 08:02:34 UTC 2023 , Edited by admin on Sat Dec 16 08:02:34 UTC 2023
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CRN2143Y31
Created by
admin on Sat Dec 16 08:02:34 UTC 2023 , Edited by admin on Sat Dec 16 08:02:34 UTC 2023
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PRIMARY |