Details
| Stereochemistry | MIXED |
| Molecular Formula | C21H26N2OS2 |
| Molecular Weight | 386.574 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSC1=CC=C2[S+]([O-])C3=CC=CC=C3N(CCC4CCCCN4C)C2=C1
InChI
InChIKey=XLDFFVBQCMLXIE-UHFFFAOYSA-N
InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26(24)21-11-10-17(25-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
| Molecular Formula | C21H26N2OS2 |
| Molecular Weight | 386.574 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:28:47 GMT 2025
by
admin
on
Mon Mar 31 21:28:47 GMT 2025
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| Record UNII |
YI69B9MW63
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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DTXSID80998951
Created by
admin on Mon Mar 31 21:28:47 GMT 2025 , Edited by admin on Mon Mar 31 21:28:47 GMT 2025
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YI69B9MW63
Created by
admin on Mon Mar 31 21:28:47 GMT 2025 , Edited by admin on Mon Mar 31 21:28:47 GMT 2025
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24494
Created by
admin on Mon Mar 31 21:28:47 GMT 2025 , Edited by admin on Mon Mar 31 21:28:47 GMT 2025
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7776-05-8
Created by
admin on Mon Mar 31 21:28:47 GMT 2025 , Edited by admin on Mon Mar 31 21:28:47 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> METABOLITE INACTIVE |
| Related Record | Type | Details | ||
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PARENT -> IMPURITY |
For the calculation of contents, multiply the peak areas by 0.5
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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PARENT -> IMPURITY |
