Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H8F4N2O4S |
| Molecular Weight | 400.304 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@]12[C@H](F)[C@H](F)C3=C(OC4=CN=CC(=C4)C#N)C=CC(=C13)S(=O)(=O)C2(F)F
InChI
InChIKey=NKAACNKIKYHOHW-KFWWJZLASA-N
InChI=1S/C16H8F4N2O4S/c17-13-11-9(26-8-3-7(4-21)5-22-6-8)1-2-10-12(11)15(23,14(13)18)16(19,20)27(10,24)25/h1-3,5-6,13-14,23H/t13-,14-,15+/m1/s1
| Molecular Formula | C16H8F4N2O4S |
| Molecular Weight | 400.304 |
| 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
Wed Apr 02 19:11:37 GMT 2025
by
admin
on
Wed Apr 02 19:11:37 GMT 2025
|
| Record UNII |
5BZT6LTA46
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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171575798
Created by
admin on Wed Apr 02 19:11:37 GMT 2025 , Edited by admin on Wed Apr 02 19:11:37 GMT 2025
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2826252-88-2
Created by
admin on Wed Apr 02 19:11:37 GMT 2025 , Edited by admin on Wed Apr 02 19:11:37 GMT 2025
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PRIMARY | |||
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5BZT6LTA46
Created by
admin on Wed Apr 02 19:11:37 GMT 2025 , Edited by admin on Wed Apr 02 19:11:37 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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![Structure of 5-[[(4S,5S,6R)-3,3,5,6-Tetrafluoro-4-hydroxy-2,2-dioxo-2lambda6-thiatricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-8-yl]oxy]pyridine-3-carbonitrile](/img/76240237-27a8-4081-8b05-e23645f8c4a2.svg "Structure of 5-[[(4S,5S,6R)-3,3,5,6-Tetrafluoro-4-hydroxy-2,2-dioxo-2lambda6-thiatricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-8-yl]oxy]pyridine-3-carbonitrile")