Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H13F4N3O3S |
| Molecular Weight | 451.394 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)N(C(=S)N(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)C3=CC=C(C(O)=O)C(F)=C3
InChI
InChIKey=MECDPCCFIDQBBP-UHFFFAOYSA-N
InChI=1S/C20H13F4N3O3S/c1-19(2)17(30)26(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)27(19)12-5-6-13(16(28)29)15(21)8-12/h3-8H,1-2H3,(H,28,29)
| Molecular Formula | C20H13F4N3O3S |
| Molecular Weight | 451.394 |
| 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 18:21:16 GMT 2023
by
admin
on
Sat Dec 16 18:21:16 GMT 2023
|
| Record UNII |
YF8MAL2HDY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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46898522
Created by
admin on Sat Dec 16 18:21:16 GMT 2023 , Edited by admin on Sat Dec 16 18:21:16 GMT 2023
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1242137-15-0
Created by
admin on Sat Dec 16 18:21:16 GMT 2023 , Edited by admin on Sat Dec 16 18:21:16 GMT 2023
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YF8MAL2HDY
Created by
admin on Sat Dec 16 18:21:16 GMT 2023 , Edited by admin on Sat Dec 16 18:21:16 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE INACTIVE |
In plasma, M1 accounted for 10% of the 14C-radioactivity. In urine, the most abundant 14C-component was M1 (62.7% of dose). In feces, the most abundant 14C-components were M1 and M10, which accounted for 3.34% and 4.26% of the radioactive dose, respectively.
FECAL; PLASMA; URINE
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