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 | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 | ( + / - ) |
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
Fri Dec 15 15:24:52 GMT 2023
by
admin
on
Fri Dec 15 15:24:52 GMT 2023
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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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-
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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 Fri Dec 15 15:24:52 GMT 2023 , Edited by admin on Fri Dec 15 15:24:52 GMT 2023
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |