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
Sat Dec 16 11:22:03 GMT 2023
by
admin
on
Sat Dec 16 11:22:03 GMT 2023
|
Record UNII |
16D0X6IIWJ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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62969-59-9
Created by
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13112614
Created by
admin on Sat Dec 16 11:22:03 GMT 2023 , Edited by admin on Sat Dec 16 11:22:03 GMT 2023
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16D0X6IIWJ
Created by
admin on Sat Dec 16 11:22:03 GMT 2023 , Edited by admin on Sat Dec 16 11:22:03 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE |
URINE
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PARENT -> METABOLITE |