Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H18FN7O2 |
| Molecular Weight | 383.3796 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(CO)C1=CC2=NN=C(N2N=C1OCC3=NC=NN3)C4=CC=CC=C4F
InChI
InChIKey=PDIOQYJOOWDYMV-UHFFFAOYSA-N
InChI=1S/C18H18FN7O2/c1-18(2,9-27)12-7-15-23-24-16(11-5-3-4-6-13(11)19)26(15)25-17(12)28-8-14-20-10-21-22-14/h3-7,10,27H,8-9H2,1-2H3,(H,20,21,22)
| Molecular Formula | C18H18FN7O2 |
| Molecular Weight | 383.3796 |
| 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 16:12:12 UTC 2023
by
admin
on
Sat Dec 16 16:12:12 UTC 2023
|
| Record UNII |
XTQ2HC7BIB
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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XTQ2HC7BIB
Created by
admin on Sat Dec 16 16:12:12 UTC 2023 , Edited by admin on Sat Dec 16 16:12:12 UTC 2023
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154572848
Created by
admin on Sat Dec 16 16:12:12 UTC 2023 , Edited by admin on Sat Dec 16 16:12:12 UTC 2023
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908140-78-3
Created by
admin on Sat Dec 16 16:12:12 UTC 2023 , Edited by admin on Sat Dec 16 16:12:12 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
FECAL
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PARENT -> METABOLITE |
URINE
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