Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H22N2O11S |
| Molecular Weight | 522.482 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O
InChI
InChIKey=UWRCJOKBRKBQCP-OTVISBKVSA-N
InChI=1S/C22H22N2O11S/c25-10-14-15(16(23-34-14)12-4-2-1-3-5-12)11-6-8-13(9-7-11)36(31,32)24-35-22-19(28)17(26)18(27)20(33-22)21(29)30/h1-9,17-20,22,24-28H,10H2,(H,29,30)/t17-,18-,19+,20-,22-/m0/s1
| Molecular Formula | C22H22N2O11S |
| Molecular Weight | 522.482 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:41:29 GMT 2023
by
admin
on
Sat Dec 16 15:41:29 GMT 2023
|
| Record UNII |
DC9RRU5Z8M
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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DC9RRU5Z8M
Created by
admin on Sat Dec 16 15:41:29 GMT 2023 , Edited by admin on Sat Dec 16 15:41:29 GMT 2023
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155928966
Created by
admin on Sat Dec 16 15:41:29 GMT 2023 , Edited by admin on Sat Dec 16 15:41:29 GMT 2023
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501093-58-9
Created by
admin on Sat Dec 16 15:41:29 GMT 2023 , Edited by admin on Sat Dec 16 15:41:29 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
|
