Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.279 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCCCOC1=CC2=C(CCC(=O)N2)C=C1
InChI
InChIKey=KRICLZOCASGBRD-UHFFFAOYSA-N
InChI=1S/C13H17NO3/c15-7-1-2-8-17-11-5-3-10-4-6-13(16)14-12(10)9-11/h3,5,9,15H,1-2,4,6-8H2,(H,14,16)
| Molecular Formula | C13H17NO3 |
| Molecular Weight | 235.279 |
| 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
Wed Apr 02 12:35:39 GMT 2025
by
admin
on
Wed Apr 02 12:35:39 GMT 2025
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| Record UNII |
UEY2TJ7FPV
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| Record Status |
Validated (UNII)
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| Record Version |
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71316195
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DTXSID90747654
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1042645
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889443-20-3
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admin on Wed Apr 02 12:35:39 GMT 2025 , Edited by admin on Wed Apr 02 12:35:39 GMT 2025
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UEY2TJ7FPV
Created by
admin on Wed Apr 02 12:35:39 GMT 2025 , Edited by admin on Wed Apr 02 12:35:39 GMT 2025
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
URINE
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |
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