Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H18NO7S |
Molecular Weight | 404.414 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 1 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(CC[N+]3=CC4=C(C=CC(OS(O)(=O)=O)=C4OC)C=C23)C=C1O
InChI
InChIKey=LTBVFXBDKOPTHA-UHFFFAOYSA-O
InChI=1S/C19H17NO7S/c1-25-18-9-13-12(8-16(18)21)5-6-20-10-14-11(7-15(13)20)3-4-17(19(14)26-2)27-28(22,23)24/h3-4,7-10H,5-6H2,1-2H3,(H,22,23,24)/p+1
Molecular Formula | C19H18NO7S |
Molecular Weight | 404.414 |
Charge | 1 |
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 07:33:14 GMT 2025
by
admin
on
Wed Apr 02 07:33:14 GMT 2025
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Record UNII |
VG8PXK6SVI
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Record Status |
Validated (UNII)
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Record Version |
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-
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1334431-50-3
Created by
admin on Wed Apr 02 07:33:14 GMT 2025 , Edited by admin on Wed Apr 02 07:33:14 GMT 2025
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VG8PXK6SVI
Created by
admin on Wed Apr 02 07:33:14 GMT 2025 , Edited by admin on Wed Apr 02 07:33:14 GMT 2025
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154572897
Created by
admin on Wed Apr 02 07:33:14 GMT 2025 , Edited by admin on Wed Apr 02 07:33:14 GMT 2025
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Related Record | Type | Details | ||
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PARENT -> METABOLITE |
URINE
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