Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H18F3NO3 |
| Molecular Weight | 377.357 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCCC1(C(=O)NCC(F)(F)F)C2=C(C=CC=C2)C3=C1C=CC=C3
InChI
InChIKey=OMOCFKYWOGDCTG-UHFFFAOYSA-N
InChI=1S/C20H18F3NO3/c21-20(22,23)12-24-18(27)19(11-5-10-17(25)26)15-8-3-1-6-13(15)14-7-2-4-9-16(14)19/h1-4,6-9H,5,10-12H2,(H,24,27)(H,25,26)
| Molecular Formula | C20H18F3NO3 |
| Molecular Weight | 377.357 |
| 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 15:17:14 UTC 2023
by
admin
on
Sat Dec 16 15:17:14 UTC 2023
|
| Record UNII |
EA4GAV9AYU
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
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54158214
Created by
admin on Sat Dec 16 15:17:14 UTC 2023 , Edited by admin on Sat Dec 16 15:17:14 UTC 2023
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182439-11-8
Created by
admin on Sat Dec 16 15:17:14 UTC 2023 , Edited by admin on Sat Dec 16 15:17:14 UTC 2023
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EA4GAV9AYU
Created by
admin on Sat Dec 16 15:17:14 UTC 2023 , Edited by admin on Sat Dec 16 15:17:14 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
In plasma, M3 was the major metabolite that accounted for 17.3% of the plasma radioactivity. In urine, M3 was the minor metabolite that accounted for 0.34% of the dose in the 0 –96 hours urine samples. In feces, M3 was the minor metabolite that accounted for 1.33 % of the dose in the 0 – 96 hours feces.
FECAL; PLASMA; URINE
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