Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H22FN3O2.C4H4O4 |
| Molecular Weight | 495.4995 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.[H][C@]12C[C@H](C3=CC=C(F)C=C3)[C@@]1([H])CN(CCN4C(=O)NC5=C(C=CC=C5)C4=O)C2
InChI
InChIKey=CTDAYPHDLBRZJD-MOKUWYDTSA-N
InChI=1S/C22H22FN3O2.C4H4O4/c23-16-7-5-14(6-8-16)18-11-15-12-25(13-19(15)18)9-10-26-21(27)17-3-1-2-4-20(17)24-22(26)28;5-3(6)1-2-4(7)8/h1-8,15,18-19H,9-13H2,(H,24,28);1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,18-,19+;/m1./s1
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C22H22FN3O2 |
| Molecular Weight | 379.4274 |
| 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
Fri Dec 15 16:22:32 UTC 2023
by
admin
on
Fri Dec 15 16:22:32 UTC 2023
|
| Record UNII |
S0QAR4Z7QJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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S0QAR4Z7QJ
Created by
admin on Fri Dec 15 16:22:32 UTC 2023 , Edited by admin on Fri Dec 15 16:22:32 UTC 2023
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345226-68-8
Created by
admin on Fri Dec 15 16:22:32 UTC 2023 , Edited by admin on Fri Dec 15 16:22:32 UTC 2023
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9957431
Created by
admin on Fri Dec 15 16:22:32 UTC 2023 , Edited by admin on Fri Dec 15 16:22:32 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
