Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H17NO2.ClH |
| Molecular Weight | 243.73 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CCNC(C)CC1=CC=C2OCOC2=C1
InChI
InChIKey=IBDIPBWIXJRJQM-UHFFFAOYSA-N
InChI=1S/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H
| Molecular Formula | C12H17NO2 |
| Molecular Weight | 207.2689 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| 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 |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL222 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747 |
1.02 µM [IC50] | ||
Target ID: CHEMBL238 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747 |
9.3 µM [IC50] | ||
Target ID: CHEMBL228 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747 |
1.27 µM [IC50] | ||
Target ID: CHEMBL214 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747 |
18.8 µM [Ki] | ||
Target ID: CHEMBL1867 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22897747 |
12.2 µM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:11:11 GMT 2025
by
admin
on
Mon Mar 31 18:11:11 GMT 2025
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| Record UNII |
F5C0YRV9E3
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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DTXSID0048892
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F5C0YRV9E3
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m7105
Created by
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PRIMARY | Merck Index |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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