Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C20H24N2S2.C4H4O4 |
| Molecular Weight | 472.62 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CSC1=CC=C2SC3=C(CC(N4CCN(C)CC4)C2=C1)C=CC=C3
InChI
InChIKey=IWDBEHWZGDSFHR-BTJKTKAUSA-N
InChI=1S/C20H24N2S2.C4H4O4/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20;5-3(6)1-2-4(7)8/h3-8,14,18H,9-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C20H24N2S2 |
| Molecular Weight | 356.548 |
| 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: P28221 Gene ID: 3352.0 Gene Symbol: HTR1D Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/8692281 |
|||
Target ID: P34969 Gene ID: 3363.0 Gene Symbol: HTR7 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/10889351 |
|||
Target ID: P50406 Gene ID: 3362.0 Gene Symbol: HTR6 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/10889351 |
|||
Target ID: CHEMBL2095200 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1968846 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:50:12 GMT 2025
by
admin
on
Mon Mar 31 17:50:12 GMT 2025
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| Record UNII |
LVP2XBC3GA
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| Record Status |
Validated (UNII)
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| Record Version |
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19728-88-2
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LVP2XBC3GA
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5358812
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DTXSID8042630
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |