Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C28H25F3N6O |
| Molecular Weight | 518.5329 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1C#CC2=CN=C3C=CC=NN23)C(=O)NC4=CC=C(CN5CCNCC5)C(=C4)C(F)(F)F
InChI
InChIKey=KWRBKHJXXYLTAA-UHFFFAOYSA-N
InChI=1S/C28H25F3N6O/c1-19-4-5-21(15-20(19)7-9-24-17-33-26-3-2-10-34-37(24)26)27(38)35-23-8-6-22(25(16-23)28(29,30)31)18-36-13-11-32-12-14-36/h2-6,8,10,15-17,32H,11-14,18H2,1H3,(H,35,38)
| Molecular Formula | C28H25F3N6O |
| Molecular Weight | 518.5329 |
| 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
Fri Dec 15 17:11:49 UTC 2023
by
admin
on
Fri Dec 15 17:11:49 UTC 2023
|
| Record UNII |
5EMP4AZ4U5
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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5EMP4AZ4U5
Created by
admin on Fri Dec 15 17:11:49 UTC 2023 , Edited by admin on Fri Dec 15 17:11:49 UTC 2023
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943319-87-7
Created by
admin on Fri Dec 15 17:11:49 UTC 2023 , Edited by admin on Fri Dec 15 17:11:49 UTC 2023
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24826880
Created by
admin on Fri Dec 15 17:11:49 UTC 2023 , Edited by admin on Fri Dec 15 17:11:49 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE ACTIVE |
FECAL; PLASMA
|
