Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H22BrFN4O2 |
| Molecular Weight | 461.327 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC2=C(C=C1OCC3CCNCC3)N=CN=C2NC4=CC=C(Br)C=C4F
InChI
InChIKey=HTCPERSEGREUFC-UHFFFAOYSA-N
InChI=1S/C21H22BrFN4O2/c1-28-19-9-15-18(10-20(19)29-11-13-4-6-24-7-5-13)25-12-26-21(15)27-17-3-2-14(22)8-16(17)23/h2-3,8-10,12-13,24H,4-7,11H2,1H3,(H,25,26,27)
| Molecular Formula | C21H22BrFN4O2 |
| Molecular Weight | 461.327 |
| 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 10:48:43 UTC 2023
by
admin
on
Sat Dec 16 10:48:43 UTC 2023
|
| Record UNII |
K4I43R5TNP
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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DTXSID50416177
Created by
admin on Sat Dec 16 10:48:43 UTC 2023 , Edited by admin on Sat Dec 16 10:48:43 UTC 2023
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5329048
Created by
admin on Sat Dec 16 10:48:43 UTC 2023 , Edited by admin on Sat Dec 16 10:48:43 UTC 2023
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338992-12-4
Created by
admin on Sat Dec 16 10:48:43 UTC 2023 , Edited by admin on Sat Dec 16 10:48:43 UTC 2023
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K4I43R5TNP
Created by
admin on Sat Dec 16 10:48:43 UTC 2023 , Edited by admin on Sat Dec 16 10:48:43 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE ACTIVE |
MAJOR
FECAL; PLASMA; URINE
|
