Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H19NO3.CH4O3S |
| Molecular Weight | 321.39 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC(O)=C(O)C=C1
InChI
InChIKey=RDYNLAQMERHCLU-UHFFFAOYSA-N
InChI=1S/C12H19NO3.CH4O3S/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;1-5(2,3)4/h4-6,11,13-16H,7H2,1-3H3;1H3,(H,2,3,4)
| 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 | ( + / - ) |
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| 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: 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 18:07:00 GMT 2025
by
admin
on
Mon Mar 31 18:07:00 GMT 2025
|
| Record UNII |
25CJR2TJPW
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Preferred Name | English | ||
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Official Name | English | ||
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Code | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C48149
Created by
admin on Mon Mar 31 18:07:00 GMT 2025 , Edited by admin on Mon Mar 31 18:07:00 GMT 2025
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C76019
Created by
admin on Mon Mar 31 18:07:00 GMT 2025 , Edited by admin on Mon Mar 31 18:07:00 GMT 2025
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PRIMARY | |||
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300000055384
Created by
admin on Mon Mar 31 18:07:00 GMT 2025 , Edited by admin on Mon Mar 31 18:07:00 GMT 2025
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PRIMARY | |||
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18177377
Created by
admin on Mon Mar 31 18:07:00 GMT 2025 , Edited by admin on Mon Mar 31 18:07:00 GMT 2025
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PRIMARY | |||
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25CJR2TJPW
Created by
admin on Mon Mar 31 18:07:00 GMT 2025 , Edited by admin on Mon Mar 31 18:07:00 GMT 2025
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PRIMARY | |||
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CHEMBL1159715
Created by
admin on Mon Mar 31 18:07:00 GMT 2025 , Edited by admin on Mon Mar 31 18:07:00 GMT 2025
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PRIMARY | |||
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17605-73-1
Created by
admin on Mon Mar 31 18:07:00 GMT 2025 , Edited by admin on Mon Mar 31 18:07:00 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ENANTIOMER -> RACEMATE | |||
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|
PARENT -> SALT/SOLVATE | |||
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|
ENANTIOMER -> RACEMATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
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ACTIVE MOIETY |