Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H24N2O8S2 |
| Molecular Weight | 460.522 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(C=C(C[C@@H](C)NCCOC2=C(OS(O)(=O)=O)C=CC=C2)C=C1)S(N)(=O)=O
InChI
InChIKey=WKSBTBQRYTUUJV-CYBMUJFWSA-N
InChI=1S/C18H24N2O8S2/c1-13(11-14-7-8-17(26-2)18(12-14)29(19,21)22)20-9-10-27-15-5-3-4-6-16(15)28-30(23,24)25/h3-8,12-13,20H,9-11H2,1-2H3,(H2,19,21,22)(H,23,24,25)/t13-/m1/s1
| Molecular Formula | C18H24N2O8S2 |
| Molecular Weight | 460.522 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 17:47:16 UTC 2023
by
admin
on
Sat Dec 16 17:47:16 UTC 2023
|
| Record UNII |
GRE0Q7D7FH
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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154731599
Created by
admin on Sat Dec 16 17:47:16 UTC 2023 , Edited by admin on Sat Dec 16 17:47:16 UTC 2023
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176223-36-2
Created by
admin on Sat Dec 16 17:47:16 UTC 2023 , Edited by admin on Sat Dec 16 17:47:16 UTC 2023
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PRIMARY | |||
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GRE0Q7D7FH
Created by
admin on Sat Dec 16 17:47:16 UTC 2023 , Edited by admin on Sat Dec 16 17:47:16 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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PARENT -> METABOLITE |
PLASMA
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