Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H27NO7S |
| Molecular Weight | 449.517 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]1[C@@H](O)[C@H](OC2=C3CC[C@@H](CC3=CC=C2)NCCC4=CC=CS4)O[C@@H]([C@H]1O)C(O)=O
InChI
InChIKey=VDORCSAVXVYPRS-ZQUMRXHJSA-N
InChI=1S/C22H27NO7S/c24-17-18(25)20(21(27)28)30-22(19(17)26)29-16-5-1-3-12-11-13(6-7-15(12)16)23-9-8-14-4-2-10-31-14/h1-5,10,13,17-20,22-26H,6-9,11H2,(H,27,28)/t13-,17-,18-,19+,20-,22+/m0/s1
| Molecular Formula | C22H27NO7S |
| Molecular Weight | 449.517 |
| 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
Mon Mar 31 22:16:55 GMT 2025
by
admin
on
Mon Mar 31 22:16:55 GMT 2025
|
| Record UNII |
Y8W64KJ2P6
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Preferred Name | English | ||
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Common Name | English |
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155928961
Created by
admin on Mon Mar 31 22:16:55 GMT 2025 , Edited by admin on Mon Mar 31 22:16:55 GMT 2025
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154714-33-7
Created by
admin on Mon Mar 31 22:16:55 GMT 2025 , Edited by admin on Mon Mar 31 22:16:55 GMT 2025
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Y8W64KJ2P6
Created by
admin on Mon Mar 31 22:16:55 GMT 2025 , Edited by admin on Mon Mar 31 22:16:55 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MINOR
URINE
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