Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C11H14N2.C4H4O4 |
| Molecular Weight | 290.3144 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CC(N)CC1=CC2=C(C=CN2)C=C1
InChI
InChIKey=XKFGCLQBEJVGQK-BTJKTKAUSA-N
InChI=1S/C11H14N2.C4H4O4/c1-8(12)6-9-2-3-10-4-5-13-11(10)7-9;5-3(6)1-2-4(7)8/h2-5,7-8,13H,6,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C11H14N2 |
| Molecular Weight | 174.2423 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: GO:0097621 Sources: https://www.ncbi.nlm.nih.gov/pubmed/5658327 |
4.6 µM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:45:26 GMT 2025
by
admin
on
Mon Mar 31 17:45:26 GMT 2025
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| Record UNII |
M7C77J017A
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID101030108
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22196-72-1
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23619741
Created by
admin on Mon Mar 31 17:45:26 GMT 2025 , Edited by admin on Mon Mar 31 17:45:26 GMT 2025
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M7C77J017A
Created by
admin on Mon Mar 31 17:45:26 GMT 2025 , Edited by admin on Mon Mar 31 17:45:26 GMT 2025
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PRIMARY |
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PARENT -> SALT/SOLVATE |