Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H23NO5S |
| Molecular Weight | 413.487 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCN1CC(=C(C1=O)C2=CC=C(CC(O)=O)C=C2)C3=CC=C(C=C3)S(C)(=O)=O
InChI
InChIKey=DBRWMNPHBAUZPT-UHFFFAOYSA-N
InChI=1S/C22H23NO5S/c1-3-12-23-14-19(16-8-10-18(11-9-16)29(2,27)28)21(22(23)26)17-6-4-15(5-7-17)13-20(24)25/h4-11H,3,12-14H2,1-2H3,(H,24,25)
| Molecular Formula | C22H23NO5S |
| Molecular Weight | 413.487 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 06:18:10 GMT 2025
by
admin
on
Wed Apr 02 06:18:10 GMT 2025
|
| Record UNII |
5GSZ9S7U8M
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Systematic Name | English | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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5GSZ9S7U8M
Created by
admin on Wed Apr 02 06:18:10 GMT 2025 , Edited by admin on Wed Apr 02 06:18:10 GMT 2025
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PRIMARY | |||
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156613689
Created by
admin on Wed Apr 02 06:18:10 GMT 2025 , Edited by admin on Wed Apr 02 06:18:10 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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|
PARENT -> METABOLITE |
URINE
|
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PARENT -> METABOLITE |
MAJOR
PLASMA
|