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
Sat Dec 16 15:40:45 GMT 2023
by
admin
on
Sat Dec 16 15:40:45 GMT 2023
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Record UNII |
5GSZ9S7U8M
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English |
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5GSZ9S7U8M
Created by
admin on Sat Dec 16 15:40:45 GMT 2023 , Edited by admin on Sat Dec 16 15:40:45 GMT 2023
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156613689
Created by
admin on Sat Dec 16 15:40:45 GMT 2023 , Edited by admin on Sat Dec 16 15:40:45 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE |
URINE
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PARENT -> METABOLITE |
MAJOR
PLASMA
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