Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H28N2O9S2 |
| Molecular Weight | 504.574 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=C(OCCN[C@H](C)CC2=CC(=C(OC)C=C2)S(N)(=O)=O)C=C(OS(O)(=O)=O)C=C1
InChI
InChIKey=RFCZBMUTHYYAJV-CQSZACIVSA-N
InChI=1S/C20H28N2O9S2/c1-4-29-17-8-6-16(31-33(25,26)27)13-19(17)30-10-9-22-14(2)11-15-5-7-18(28-3)20(12-15)32(21,23)24/h5-8,12-14,22H,4,9-11H2,1-3H3,(H2,21,23,24)(H,25,26,27)/t14-/m1/s1
| Molecular Formula | C20H28N2O9S2 |
| Molecular Weight | 504.574 |
| 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 17:42:44 GMT 2023
by
admin
on
Sat Dec 16 17:42:44 GMT 2023
|
| Record UNII |
8Y9E3LDI0C
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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8Y9E3LDI0C
Created by
admin on Sat Dec 16 17:42:44 GMT 2023 , Edited by admin on Sat Dec 16 17:42:44 GMT 2023
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176223-38-4
Created by
admin on Sat Dec 16 17:42:44 GMT 2023 , Edited by admin on Sat Dec 16 17:42:44 GMT 2023
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154731564
Created by
admin on Sat Dec 16 17:42:44 GMT 2023 , Edited by admin on Sat Dec 16 17:42:44 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
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