Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H31NO5S |
| Molecular Weight | 493.614 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)OC1=CC=C2[C@H]([C@H](CCC2=C1)C3=CC=CC=C3)C4=CC=C(OCCN5CCCC5)C=C4
InChI
InChIKey=NXQINUGCNDMKEW-IAPPQJPRSA-N
InChI=1S/C28H31NO5S/c30-35(31,32)34-25-13-15-27-23(20-25)10-14-26(21-6-2-1-3-7-21)28(27)22-8-11-24(12-9-22)33-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28H,4-5,10,14,16-19H2,(H,30,31,32)/t26-,28+/m1/s1
| Molecular Formula | C28H31NO5S |
| Molecular Weight | 493.614 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 07:16:33 GMT 2025
by
admin
on
Wed Apr 02 07:16:33 GMT 2025
|
| Record UNII |
Z9K1Q76GZB
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Z9K1Q76GZB
Created by
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71749754
Created by
admin on Wed Apr 02 07:16:33 GMT 2025 , Edited by admin on Wed Apr 02 07:16:33 GMT 2025
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1048953-96-3
Created by
admin on Wed Apr 02 07:16:33 GMT 2025 , Edited by admin on Wed Apr 02 07:16:33 GMT 2025
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DTXSID30857923
Created by
admin on Wed Apr 02 07:16:33 GMT 2025 , Edited by admin on Wed Apr 02 07:16:33 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
FECAL
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