Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H19NO9S2 |
| Molecular Weight | 385.411 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(C)NCC(OS(O)(=O)=O)C1=CC(OS(O)(=O)=O)=CC(O)=C1
InChI
InChIKey=NFFAEEIZKGMECZ-UHFFFAOYSA-N
InChI=1S/C12H19NO9S2/c1-12(2,3)13-7-11(22-24(18,19)20)8-4-9(14)6-10(5-8)21-23(15,16)17/h4-6,11,13-14H,7H2,1-3H3,(H,15,16,17)(H,18,19,20)
| Molecular Formula | C12H19NO9S2 |
| Molecular Weight | 385.411 |
| 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 22:33:57 GMT 2025
by
admin
on
Mon Mar 31 22:33:57 GMT 2025
|
| Record UNII |
95AUP7K3XY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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95AUP7K3XY
Created by
admin on Mon Mar 31 22:33:57 GMT 2025 , Edited by admin on Mon Mar 31 22:33:57 GMT 2025
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1273567-80-8
Created by
admin on Mon Mar 31 22:33:57 GMT 2025 , Edited by admin on Mon Mar 31 22:33:57 GMT 2025
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91810666
Created by
admin on Mon Mar 31 22:33:57 GMT 2025 , Edited by admin on Mon Mar 31 22:33:57 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |