Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C21H26N2O2S2.C6H6O3S |
| Molecular Weight | 560.748 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)C1=CC=CC=C1.CN2CCCCC2CCN3C4=CC(=CC=C4SC5=C3C=CC=C5)S(C)(=O)=O
InChI
InChIKey=POTAUFBGHYTSIE-UHFFFAOYSA-N
InChI=1S/C21H26N2O2S2.C6H6O3S/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25;7-10(8,9)6-4-2-1-3-5-6/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3;1-5H,(H,7,8,9)
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.175 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H26N2O2S2 |
| Molecular Weight | 402.573 |
| 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
Fri Dec 15 18:51:58 UTC 2023
by
admin
on
Fri Dec 15 18:51:58 UTC 2023
|
| Record UNII |
7L0AV9G67Z
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
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23255-94-9
Created by
admin on Fri Dec 15 18:51:58 UTC 2023 , Edited by admin on Fri Dec 15 18:51:58 UTC 2023
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PRIMARY | |||
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7L0AV9G67Z
Created by
admin on Fri Dec 15 18:51:58 UTC 2023 , Edited by admin on Fri Dec 15 18:51:58 UTC 2023
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PRIMARY | |||
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23619868
Created by
admin on Fri Dec 15 18:51:58 UTC 2023 , Edited by admin on Fri Dec 15 18:51:58 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |