Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
N[C@H](C(O)=O)C1=CC(O)=C(C=C1)C(O)=O
InChI
InChIKey=GXZSAQLJWLCLOX-ZETCQYMHSA-N
InChI=1S/C9H9NO5/c10-7(9(14)15)4-1-2-5(8(12)13)6(11)3-4/h1-3,7,11H,10H2,(H,12,13)(H,14,15)/t7-/m0/s1
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.1715 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL5137 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17489573 |
48.0 µM [EC50] | ||
Target ID: CHEMBL3772 Sources: https://www.ncbi.nlm.nih.gov/pubmed/17489573 |
40.0 µM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 17:48:25 GMT 2025
by
admin
on
Tue Apr 01 17:48:25 GMT 2025
|
| Record UNII |
DFS3SIU1ME
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| Record Status |
Validated (UNII)
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| Record Version |
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DFS3SIU1ME
Created by
admin on Tue Apr 01 17:48:25 GMT 2025 , Edited by admin on Tue Apr 01 17:48:25 GMT 2025
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5311455
Created by
admin on Tue Apr 01 17:48:25 GMT 2025 , Edited by admin on Tue Apr 01 17:48:25 GMT 2025
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85148-82-9
Created by
admin on Tue Apr 01 17:48:25 GMT 2025 , Edited by admin on Tue Apr 01 17:48:25 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |