Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C23H17FN6O2 |
| Molecular Weight | 428.4194 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN=C(c1ccc(cc1F)-c2cnc3ncc(C(c4ccc5c(cccn5)c4)O)n3n2)O
InChI
InChIKey=OQRVHBURGPDXFS-UHFFFAOYSA-N
InChI=1S/C23H17FN6O2/c1-25-22(32)16-6-4-14(10-17(16)24)19-11-27-23-28-12-20(30(23)29-19)21(31)15-5-7-18-13(9-15)3-2-8-26-18/h2-12,21,31H,1H3,(H,25,32)
| Molecular Formula | C23H17FN6O2 |
| Molecular Weight | 428.4194 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 06:27:24 UTC 2021
by
admin
on
Sat Jun 26 06:27:24 UTC 2021
|
| Record UNII |
9K3JG6H3K5
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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9K3JG6H3K5
Created by
admin on Sat Jun 26 06:27:24 UTC 2021 , Edited by admin on Sat Jun 26 06:27:24 UTC 2021
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
PLASMA
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PARENT -> METABOLITE |
MINOR
FECAL; URINE
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