Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H19NO7S |
| Molecular Weight | 417.432 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(CC[N+]3=CC4=C(C=CC(OC)=C4OC)C=C23)C=C1OS([O-])(=O)=O
InChI
InChIKey=XRANVZBXCJWJNA-UHFFFAOYSA-N
InChI=1S/C20H19NO7S/c1-25-17-5-4-12-8-16-14-10-18(26-2)19(28-29(22,23)24)9-13(14)6-7-21(16)11-15(12)20(17)27-3/h4-5,8-11H,6-7H2,1-3H3
| Molecular Formula | C20H20NO7S |
| Molecular Weight | 418.44 |
| 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 08:28:57 GMT 2025
by
admin
on
Wed Apr 02 08:28:57 GMT 2025
|
| Record UNII |
AB869JA7NV
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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154572878
Created by
admin on Wed Apr 02 08:28:57 GMT 2025 , Edited by admin on Wed Apr 02 08:28:57 GMT 2025
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1334431-48-9
Created by
admin on Wed Apr 02 08:28:57 GMT 2025 , Edited by admin on Wed Apr 02 08:28:57 GMT 2025
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AB869JA7NV
Created by
admin on Wed Apr 02 08:28:57 GMT 2025 , Edited by admin on Wed Apr 02 08:28:57 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
|