Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C13H14N2O4 |
| Molecular Weight | 262.2613 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)[N+]([O-])=O
InChI
InChIKey=ZHPKYOHYUWTINN-UHFFFAOYSA-N
InChI=1S/C13H14N2O4/c1-2-13(8-7-11(16)14-12(13)17)9-3-5-10(6-4-9)15(18)19/h3-6H,2,7-8H2,1H3,(H,14,16,17)
| Molecular Formula | C13H15N2O4 |
| Molecular Weight | 263.2692 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:34:46 GMT 2023
by
admin
on
Sat Dec 16 15:34:46 GMT 2023
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| Record UNII |
1JJG4JG4I8
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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161968
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1JJG4JG4I8
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253-987-7
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DTXSID10959393
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admin on Sat Dec 16 15:34:47 GMT 2023 , Edited by admin on Sat Dec 16 15:34:47 GMT 2023
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38527-73-0
Created by
admin on Sat Dec 16 15:34:47 GMT 2023 , Edited by admin on Sat Dec 16 15:34:47 GMT 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
URINE
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|---|---|---|---|---|
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
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|