Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H21F3N4.C4H4O4 |
| Molecular Weight | 490.4749 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CN([C@@H]1C=C(CCC1(C)C)N2C=CN=C2)C3=CC(=C(C=C3)C#N)C(F)(F)F
InChI
InChIKey=JMKJUKQCCOVELJ-GBSOSOQXSA-N
InChI=1S/C20H21F3N4.C4H4O4/c1-19(2)7-6-16(27-9-8-25-13-27)11-18(19)26(3)15-5-4-14(12-24)17(10-15)20(21,22)23;5-3(6)1-2-4(7)8/h4-5,8-11,13,18H,6-7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t18-;/m1./s1
| Molecular Formula | C20H21F3N4 |
| Molecular Weight | 374.4027 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 20:23:34 GMT 2025
by
admin
on
Wed Apr 02 20:23:34 GMT 2025
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| Record UNII |
F6LW3JZR7L
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Code | English | ||
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Preferred Name | English |
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F6LW3JZR7L
Created by
admin on Wed Apr 02 20:23:34 GMT 2025 , Edited by admin on Wed Apr 02 20:23:34 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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|---|---|---|---|---|
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ACTIVE MOIETY |
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