Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C10H11O2.Na |
| Molecular Weight | 186.1829 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC(C)C1=CC=CC(=O)C([O-])=C1
InChI
InChIKey=FRPWTKJJZHVSHD-UHFFFAOYSA-M
InChI=1S/C10H12O2.Na/c1-7(2)8-4-3-5-9(11)10(12)6-8;/h3-7H,1-2H3,(H,11,12);/q;+1/p-1
| Molecular Formula | C10H11O2 |
| Molecular Weight | 163.1931 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL3481 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14519960 |
2.76 µM [IC50] | ||
Target ID: CHEMBL2268009 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14519960 |
24.0 µM [IC50] | ||
Target ID: CHEMBL3392 Sources: https://www.ncbi.nlm.nih.gov/pubmed/14519960 |
61.0 µM [IC50] | ||
Target ID: CHEMBL3318 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20947360 |
90.0 nM [IC50] | ||
Target ID: CHEMBL1937 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900743 |
15.44 nM [Ki] | ||
Target ID: CHEMBL3192 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900743 |
177.95 nM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 20:52:02 GMT 2025
by
admin
on
Mon Mar 31 20:52:02 GMT 2025
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| Record UNII |
5MPS47D679
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| Record Status |
Validated (UNII)
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| Record Version |
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5MPS47D679
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admin on Mon Mar 31 20:52:02 GMT 2025 , Edited by admin on Mon Mar 31 20:52:02 GMT 2025
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|---|---|---|---|---|
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