Details
| Stereochemistry | RACEMIC |
| Molecular Formula | 2C11H17N.H2O4S |
| Molecular Weight | 424.597 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC(N)CC1=CC=C(C)C(C)=C1.CC(N)CC2=CC=C(C)C(C)=C2
InChI
InChIKey=JUEMAIYCXHJGDQ-UHFFFAOYSA-N
InChI=1S/2C11H17N.H2O4S/c2*1-8-4-5-11(6-9(8)2)7-10(3)12;1-5(2,3)4/h2*4-6,10H,7,12H2,1-3H3;(H2,1,2,3,4)
| Molecular Formula | C11H17N |
| Molecular Weight | 163.2594 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| 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: CHEMBL4617 Sources: https://www.ncbi.nlm.nih.gov/pubmed/5007085 |
2.85 null [pIC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 17:56:55 GMT 2025
by
admin
on
Mon Mar 31 17:56:55 GMT 2025
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| Record UNII |
B464QNG39U
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| Record Status |
Validated (UNII)
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| Record Version |
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26726
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B464QNG39U
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14543-76-1
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238-579-9
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DTXSID60932590
Created by
admin on Mon Mar 31 17:56:55 GMT 2025 , Edited by admin on Mon Mar 31 17:56:55 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
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ACTIVE MOIETY |