Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H17F3N4O4 |
| Molecular Weight | 458.39 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12CN(C[C@]1([H])[C@H]2NC(C)=O)C3=NC4=C(C=C3F)C(=O)C(=CN4C5=CC=C(F)C=C5F)C(O)=O
InChI
InChIKey=CMOSICBJHWQANO-MCBXIFIFSA-N
InChI=1S/C22H17F3N4O4/c1-9(30)26-18-12-6-28(7-13(12)18)21-16(25)5-11-19(31)14(22(32)33)8-29(20(11)27-21)17-3-2-10(23)4-15(17)24/h2-5,8,12-13,18H,6-7H2,1H3,(H,26,30)(H,32,33)/t12-,13+,18+
| Molecular Formula | C22H17F3N4O4 |
| Molecular Weight | 458.39 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:18:23 UTC 2023
by
admin
on
Sat Dec 16 16:18:23 UTC 2023
|
| Record UNII |
0RAV43SV0Q
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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0RAV43SV0Q
Created by
admin on Sat Dec 16 16:18:23 UTC 2023 , Edited by admin on Sat Dec 16 16:18:23 UTC 2023
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PRIMARY | |||
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175426-02-5
Created by
admin on Sat Dec 16 16:18:23 UTC 2023 , Edited by admin on Sat Dec 16 16:18:23 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
FECAL
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||
|
PARENT -> METABOLITE |
URINE
|
