Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C38H40N12O8S2 |
| Molecular Weight | 856.93 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COCCNC1=NC(NC2=CC=CC=C2)=NC(NC3=CC=C(\C=C\C4=CC=C(NC5=NC(NCCOC)=NC(NC6=CC=CC=C6)=N5)C=C4S(O)(=O)=O)C(=C3)S(O)(=O)=O)=N1
InChI
InChIKey=IFZMKHAAAPREQJ-BUHFOSPRSA-N
InChI=1S/C38H40N12O8S2/c1-57-21-19-39-33-45-35(41-27-9-5-3-6-10-27)49-37(47-33)43-29-17-15-25(31(23-29)59(51,52)53)13-14-26-16-18-30(24-32(26)60(54,55)56)44-38-48-34(40-20-22-58-2)46-36(50-38)42-28-11-7-4-8-12-28/h3-18,23-24H,19-22H2,1-2H3,(H,51,52,53)(H,54,55,56)(H3,39,41,43,45,47,49)(H3,40,42,44,46,48,50)/b14-13+
| Molecular Formula | C38H40N12O8S2 |
| Molecular Weight | 856.93 |
| Charge | 0 |
| 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
Sat Dec 16 19:08:09 GMT 2023
by
admin
on
Sat Dec 16 19:08:09 GMT 2023
|
| Record UNII |
QN632M4X8J
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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QN632M4X8J
Created by
admin on Sat Dec 16 19:08:09 GMT 2023 , Edited by admin on Sat Dec 16 19:08:09 GMT 2023
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776993-45-4
Created by
admin on Sat Dec 16 19:08:09 GMT 2023 , Edited by admin on Sat Dec 16 19:08:09 GMT 2023
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6451534
Created by
admin on Sat Dec 16 19:08:09 GMT 2023 , Edited by admin on Sat Dec 16 19:08:09 GMT 2023
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PRIMARY |
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|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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