Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C14H23N3O10.C6H8O6.Fe.Tc |
| Molecular Weight | 724.222 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Fe].[99Tc].[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO.OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O
InChI
InChIKey=LDVQRVOHMMYEBK-BNVFFUDCSA-N
InChI=1S/C14H23N3O10.C6H8O6.Fe.Tc/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;7-1-2(8)5-3(9)4(10)6(11)12-5;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2,5,7-10H,1H2;;/t;2-,5+;;/m.0../s1/i;;;1+1
| Molecular Formula | C6H8O6 |
| Molecular Weight | 176.1241 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Fe |
| Molecular Weight | 55.845 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C14H23N3O10 |
| Molecular Weight | 393.3465 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Tc |
| Molecular Weight | 98.9063 |
| Charge | 0 |
| 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
Fri Dec 15 15:59:13 UTC 2023
by
admin
on
Fri Dec 15 15:59:13 UTC 2023
|
| Record UNII |
007KG0HTO5
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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CHEMBL1201411
Created by
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007KG0HTO5
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76971971
Created by
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Created by
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