Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C13H17NO.ClH |
| Molecular Weight | 239.741 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCNC(C)CC1=CC2=C(OC=C2)C=C1
InChI
InChIKey=YJEXOIDIYJUVNS-UHFFFAOYSA-N
InChI=1S/C13H17NO.ClH/c1-3-14-10(2)8-11-4-5-13-12(9-11)6-7-15-13;/h4-7,9-10,14H,3,8H2,1-2H3;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 | C13H17NO |
| Molecular Weight | 203.2802 |
| 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: P31645 Gene ID: 6532.0 Gene Symbol: SLC6A4 Target Organism: Homo sapiens (Human) |
0.72 µM [IC50] | ||
Target ID: P23975 Gene ID: 6530.0 Gene Symbol: SLC6A2 Target Organism: Homo sapiens (Human) |
0.56 µM [IC50] | ||
Target ID: Q01959 Gene ID: 6531.0 Gene Symbol: SLC6A3 Target Organism: Homo sapiens (Human) |
4.9 µM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:45:15 GMT 2025
by
admin
on
Mon Mar 31 23:45:15 GMT 2025
|
| Record UNII |
67LF6C2265
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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1823776-22-2
Created by
admin on Mon Mar 31 23:45:15 GMT 2025 , Edited by admin on Mon Mar 31 23:45:15 GMT 2025
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67LF6C2265
Created by
admin on Mon Mar 31 23:45:15 GMT 2025 , Edited by admin on Mon Mar 31 23:45:15 GMT 2025
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PRIMARY | |||
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112500548
Created by
admin on Mon Mar 31 23:45:15 GMT 2025 , Edited by admin on Mon Mar 31 23:45:15 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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