Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H28N2O3S |
| Molecular Weight | 352.492 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C3=CC(O)=CC=C3)CC1
InChI
InChIKey=HWKROQUZSKPIKQ-MRXNPFEDSA-N
InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1
| Molecular Formula | C18H28N2O3S |
| Molecular Weight | 352.492 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL3155 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12825922 |
1.3 nM [Ki] | ||
Target ID: CHEMBL3426 Sources: https://www.ncbi.nlm.nih.gov/pubmed/12825922 |
65.0 nM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 06:42:22 GMT 2025
by
admin
on
Wed Apr 02 06:42:22 GMT 2025
|
| Record UNII |
KC8KP5XU6F
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Code | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
SB-269970
Created by
admin on Wed Apr 02 06:42:22 GMT 2025 , Edited by admin on Wed Apr 02 06:42:22 GMT 2025
|
PRIMARY | |||
|
201038-74-6
Created by
admin on Wed Apr 02 06:42:22 GMT 2025 , Edited by admin on Wed Apr 02 06:42:22 GMT 2025
|
PRIMARY | |||
|
DTXSID90942127
Created by
admin on Wed Apr 02 06:42:22 GMT 2025 , Edited by admin on Wed Apr 02 06:42:22 GMT 2025
|
PRIMARY | |||
|
KC8KP5XU6F
Created by
admin on Wed Apr 02 06:42:22 GMT 2025 , Edited by admin on Wed Apr 02 06:42:22 GMT 2025
|
PRIMARY | |||
|
6604889
Created by
admin on Wed Apr 02 06:42:22 GMT 2025 , Edited by admin on Wed Apr 02 06:42:22 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SALT/SOLVATE -> PARENT |
|
||
|
ENANTIOMER -> ENANTIOMER |
|