Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H22INO.C4H4O4 |
| Molecular Weight | 487.3286 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CCCN(C\C=C\I)C1CCC2=C(C1)C=C(O)C=C2
InChI
InChIKey=IQRDHLSQXOATHD-HBRCEPSSSA-N
InChI=1S/C16H22INO.C4H4O4/c1-2-9-18(10-3-8-17)15-6-4-13-5-7-16(19)12-14(13)11-15;5-3(6)1-2-4(7)8/h3,5,7-8,12,15,19H,2,4,6,9-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b8-3+;2-1-
| Molecular Formula | C16H22INO |
| Molecular Weight | 371.2564 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| 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: P35462 Gene ID: 1814.0 Gene Symbol: DRD3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/8519278 |
0.48 nM [Kd] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:09:48 GMT 2025
by
admin
on
Mon Mar 31 22:09:48 GMT 2025
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| Record UNII |
977JC7EV31
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| Record Status |
Validated (UNII)
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| Record Version |
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64134
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977JC7EV31
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24978534
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admin on Mon Mar 31 22:09:48 GMT 2025 , Edited by admin on Mon Mar 31 22:09:48 GMT 2025
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200722-46-9
Created by
admin on Mon Mar 31 22:09:48 GMT 2025 , Edited by admin on Mon Mar 31 22:09:48 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |