Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H36N2O12S |
| Molecular Weight | 600.635 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| 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(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C1
InChI
InChIKey=CWFKGKKDJKVLTL-LVGJANFBSA-N
InChI=1S/C26H36N2O12S/c1-4-37-17-8-6-16(39-26-23(31)21(29)22(30)24(40-26)25(32)33)13-19(17)38-10-9-28-14(2)11-15-5-7-18(36-3)20(12-15)41(27,34)35/h5-8,12-14,21-24,26,28-31H,4,9-11H2,1-3H3,(H,32,33)(H2,27,34,35)/t14-,21+,22+,23-,24+,26-/m1/s1
| Molecular Formula | C26H36N2O12S |
| Molecular Weight | 600.635 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sun Dec 18 21:14:21 UTC 2022
by
admin
on
Sun Dec 18 21:14:21 UTC 2022
|
| Record UNII |
I0T9MX48ZE
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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I0T9MX48ZE
Created by
admin on Sun Dec 18 21:14:21 UTC 2022 , Edited by admin on Sun Dec 18 21:14:21 UTC 2022
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154731644
Created by
admin on Sun Dec 18 21:14:21 UTC 2022 , Edited by admin on Sun Dec 18 21:14:21 UTC 2022
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176223-37-3
Created by
admin on Sun Dec 18 21:14:21 UTC 2022 , Edited by admin on Sun Dec 18 21:14:21 UTC 2022
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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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