Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C26H26FN3O4S |
| Molecular Weight | 495.566 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=NC(C(=O)N2CCCC[C@H]2CN3C(O)CC4=C(O)C=CC=C4C3=O)=C(S1)C5=CC=C(F)C=C5
InChI
InChIKey=IPGNSJNVSLZJCQ-HXBUSHRASA-N
InChI=1S/C26H26FN3O4S/c1-15-28-23(24(35-15)16-8-10-17(27)11-9-16)26(34)29-12-3-2-5-18(29)14-30-22(32)13-20-19(25(30)33)6-4-7-21(20)31/h4,6-11,18,22,31-32H,2-3,5,12-14H2,1H3/t18-,22?/m0/s1
| Molecular Formula | C26H26FN3O4S |
| Molecular Weight | 495.566 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:10:42 GMT 2023
by
admin
on
Sat Dec 16 16:10:42 GMT 2023
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| Record UNII |
Y5WE8M2JH9
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Y5WE8M2JH9
Created by
admin on Sat Dec 16 16:10:42 GMT 2023 , Edited by admin on Sat Dec 16 16:10:42 GMT 2023
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118753319
Created by
admin on Sat Dec 16 16:10:42 GMT 2023 , Edited by admin on Sat Dec 16 16:10:42 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
The hemiaminal, M98 (GSK2329163), which coeluted with a hydrated metabolite (M101), together represented 4% of the fecal radioactivity (3% of the administered dose).
FECAL
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PARENT -> METABOLITE |
PLASMA
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