Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C9H11NO5.ClH |
| Molecular Weight | 249.648 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.NC(CC1=C(O)C=C(O)C(O)=C1)C(O)=O
InChI
InChIKey=BFABEGDECPTTRS-UHFFFAOYSA-N
InChI=1S/C9H11NO5.ClH/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11;/h2-3,5,11-13H,1,10H2,(H,14,15);1H
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C9H11NO5 |
| Molecular Weight | 213.1873 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL5619 |
0.11 µM [IC50] | ||
Target ID: CHEMBL2362978 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26548611 |
1.1 µM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 18:50:02 GMT 2025
by
admin
on
Wed Apr 02 18:50:02 GMT 2025
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| Record UNII |
FQJ6LEK5R9
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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FQJ6LEK5R9
Created by
admin on Wed Apr 02 18:50:02 GMT 2025 , Edited by admin on Wed Apr 02 18:50:02 GMT 2025
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68463-64-9
Created by
admin on Wed Apr 02 18:50:02 GMT 2025 , Edited by admin on Wed Apr 02 18:50:02 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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