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=C(O)C=C2CC[N+]3=C(C=C4C=CC(OS(O)(=O)=O)=C(OC)C4=C3)C2=C1
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
Sat Dec 16 16:14:28 GMT 2023
by
admin
on
Sat Dec 16 16:14:28 GMT 2023
|
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 Sat Dec 16 16:14:28 GMT 2023 , Edited by admin on Sat Dec 16 16:14:28 GMT 2023
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VG8PXK6SVI
Created by
admin on Sat Dec 16 16:14:28 GMT 2023 , Edited by admin on Sat Dec 16 16:14:28 GMT 2023
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154572897
Created by
admin on Sat Dec 16 16:14:28 GMT 2023 , Edited by admin on Sat Dec 16 16:14:28 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> METABOLITE |
URINE
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