Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C34H32N4O4.2C6H9N3O2.Fe.O2 |
| Molecular Weight | 958.795 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Fe+3].[O][O-].N[C@@H](CC1=CNC=N1)C(O)=O.N[C@@H](CC2=CNC=N2)C(O)=O.CC3=C(CCC(O)=O)C4=CC5=NC(=CC6=C(C)C(C=C)=C([N-]6)C=C7N=C(C=C3[N-]4)C(C=C)=C7C)C(C)=C5CCC(O)=O
InChI
InChIKey=FNBBEXZUORTCOY-CQWUZDFFSA-K
InChI=1S/C34H34N4O4.2C6H9N3O2.Fe.H2O2/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;2*7-5(6(10)11)1-4-2-8-3-9-4;;1-2/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2*2-3,5H,1,7H2,(H,8,9)(H,10,11);;1-2H/q;;;+3;/p-3/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;;;/t;2*5-;;/m.00../s1
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 155.1546 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | O2 |
| Molecular Weight | 31.9988 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C34H34N4O4 |
| Molecular Weight | 562.6582 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Fe |
| Molecular Weight | 55.845 |
| Charge | 3 |
| 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
Tue Apr 01 22:37:49 GMT 2025
by
admin
on
Tue Apr 01 22:37:49 GMT 2025
|
| Record UNII |
F5FTW4DR2Y
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
F5FTW4DR2Y
Created by
admin on Tue Apr 01 22:37:49 GMT 2025 , Edited by admin on Tue Apr 01 22:37:49 GMT 2025
|
PRIMARY |