Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H28N2O3S.ClH |
| Molecular Weight | 388.952 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CC1CCN(CC[C@H]2CCCN2S(=O)(=O)C3=CC(O)=CC=C3)CC1
InChI
InChIKey=XQCJOYZLWFNDIO-PKLMIRHRSA-N
InChI=1S/C18H28N2O3S.ClH/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;1H/t16-;/m1./s1
| 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 | 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 15:20:34 GMT 2025
by
admin
on
Wed Apr 02 15:20:34 GMT 2025
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| Record UNII |
DKP3XMW7KV
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| Record Status |
Validated (UNII)
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| Record Version |
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11957684
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DKP3XMW7KV
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DTXSID501017392
Created by
admin on Wed Apr 02 15:20:34 GMT 2025 , Edited by admin on Wed Apr 02 15:20:34 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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