Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C6H8N3O2.C4H6NO4.Fe.H.3H2O |
| Molecular Weight | 551.287 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].O.O.O.[Fe++].N[C@@H](CC([O-])=O)C(O)=O.N[C@@H](CC1=C[N-]C=N1)C(O)=O.N[C@@H](CC2=C[N-]C=N2)C(O)=O
InChI
InChIKey=RKOODCSOGYKXPP-DYNXAVOSSA-L
InChI=1S/2C6H9N3O2.C4H7NO4.Fe.3H2O/c2*7-5(6(10)11)1-4-2-8-3-9-4;5-2(4(8)9)1-3(6)7;;;;/h2*2-3,5H,1,7H2,(H2,8,9,10,11);2H,1,5H2,(H,6,7)(H,8,9);;3*1H2/q;;;+2;;;/p-2/t2*5-;2-;;;;/m000..../s1
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 155.1546 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H7NO4 |
| Molecular Weight | 133.1027 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Fe |
| Molecular Weight | 55.845 |
| Charge | 2 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 04:09:59 GMT 2025
by
admin
on
Wed Apr 02 04:09:59 GMT 2025
|
| Record UNII |
6W7112Q7X7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
6W7112Q7X7
Created by
admin on Wed Apr 02 04:09:59 GMT 2025 , Edited by admin on Wed Apr 02 04:09:59 GMT 2025
|
PRIMARY | |||
|
145722009
Created by
admin on Wed Apr 02 04:09:59 GMT 2025 , Edited by admin on Wed Apr 02 04:09:59 GMT 2025
|
PRIMARY |