Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H16F4N4O3S |
| Molecular Weight | 480.435 |
| 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(F)=C(C=C3)C(=O)NCO
InChI
InChIKey=GCQDHCAKABLTGP-UHFFFAOYSA-N
InChI=1S/C21H16F4N4O3S/c1-20(2)18(32)28(12-4-3-11(9-26)15(7-12)21(23,24)25)19(33)29(20)13-5-6-14(16(22)8-13)17(31)27-10-30/h3-8,30H,10H2,1-2H3,(H,27,31)
| Molecular Formula | C21H16F4N4O3S |
| Molecular Weight | 480.435 |
| 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 00:17:38 GMT 2025
by
admin
on
Wed Apr 02 00:17:38 GMT 2025
|
| Record UNII |
KLY798P76T
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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Systematic Name | English |
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2226511-32-4
Created by
admin on Wed Apr 02 00:17:38 GMT 2025 , Edited by admin on Wed Apr 02 00:17:38 GMT 2025
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156596418
Created by
admin on Wed Apr 02 00:17:38 GMT 2025 , Edited by admin on Wed Apr 02 00:17:38 GMT 2025
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PRIMARY | |||
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KLY798P76T
Created by
admin on Wed Apr 02 00:17:38 GMT 2025 , Edited by admin on Wed Apr 02 00:17:38 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
Trace amount of M6 was observed in urine (? 0.42% of the dose) and plasma (? 2% of the radioactivity in the 6- and 24-hour postdose plasma samples and not detected at any other time point).
MINOR
PLASMA; URINE
|
