Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C34H32N4O4.C6H9N3O2.Fe |
| Molecular Weight | 771.642 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Fe++].N[C@@H](CC1=CNC=N1)C(O)=O.CC2=C(CCC(O)=O)C3=CC4=NC(=CC5=C(C)C(C=C)=C([N-]5)C=C6N=C(C=C2[N-]3)C(C=C)=C6C)C(C)=C4CCC(O)=O
InChI
InChIKey=BPYZSQYKQAWZAW-IURIFCBJSA-L
InChI=1S/C34H34N4O4.C6H9N3O2.Fe/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;7-5(6(10)11)1-4-2-8-3-9-4;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);2-3,5H,1,7H2,(H,8,9)(H,10,11);/q;;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/t;5-;/m.0./s1
| Molecular Formula | Fe |
| Molecular Weight | 55.845 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C34H33N4O4 |
| Molecular Weight | 561.6502 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C6H8N3O2 |
| Molecular Weight | 154.1466 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 22:42:31 GMT 2025
by
admin
on
Tue Apr 01 22:42:31 GMT 2025
|
| Record UNII |
52DKX54PSR
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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52DKX54PSR
Created by
admin on Tue Apr 01 22:42:31 GMT 2025 , Edited by admin on Tue Apr 01 22:42:31 GMT 2025
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PRIMARY |