Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(C)NCC(O)C1=CC(O)=C(O)C=C1
InChI
InChIKey=PHSMOUBHYUFTDM-UHFFFAOYSA-N
InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8/h4-6,11,13-16H,7H2,1-3H3
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| 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: CHEMBL210 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2993621 |
600.0 nM [Kd] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:15:45 GMT 2025
by
admin
on
Mon Mar 31 18:15:45 GMT 2025
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| Record UNII |
1WH11068UO
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Official Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C48149
Created by
admin on Mon Mar 31 18:15:45 GMT 2025 , Edited by admin on Mon Mar 31 18:15:45 GMT 2025
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| Code System | Code | Type | Description | ||
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73085
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CHEMBL1159715
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25104
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C76018
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C011595
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4058
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SUB06802MIG
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1WH11068UO
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DTXSID40864860
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100000084266
Created by
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18866-78-9
Created by
admin on Mon Mar 31 18:15:45 GMT 2025 , Edited by admin on Mon Mar 31 18:15:45 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT | |||
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PRODRUG -> METABOLITE ACTIVE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |