Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.2466 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCCOC1=CC2=C(C=CC(=O)N2)C=C1
InChI
InChIKey=UQCUKMDADXRDSD-UHFFFAOYSA-N
InChI=1S/C13H13NO4/c15-12-6-4-9-3-5-10(8-11(9)14-12)18-7-1-2-13(16)17/h3-6,8H,1-2,7H2,(H,14,15)(H,16,17)
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.2466 |
| 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
Tue Apr 01 16:22:22 GMT 2025
by
admin
on
Tue Apr 01 16:22:22 GMT 2025
|
| Record UNII |
16D0X6IIWJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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62969-59-9
Created by
admin on Tue Apr 01 16:22:22 GMT 2025 , Edited by admin on Tue Apr 01 16:22:22 GMT 2025
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13112614
Created by
admin on Tue Apr 01 16:22:22 GMT 2025 , Edited by admin on Tue Apr 01 16:22:22 GMT 2025
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16D0X6IIWJ
Created by
admin on Tue Apr 01 16:22:22 GMT 2025 , Edited by admin on Tue Apr 01 16:22:22 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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PARENT -> METABOLITE |