Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C28H22F3N7O.C4H6O6 |
| Molecular Weight | 679.6026 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H]([C@H](O)C(O)=O)C(O)=O.CC1=CN(C=N1)C2=CC(=CC(NC(=O)C3=CC=C(C)C(NC4=NC=CC(=N4)C5=CC=CN=C5)=C3)=C2)C(F)(F)F
InChI
InChIKey=VYHSBWCAZKXUPP-WUUYCOTASA-N
InChI=1S/C28H22F3N7O.C4H6O6/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38;5-1(3(7)8)2(6)4(9)10/h3-16H,1-2H3,(H,35,39)(H,33,36,37);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.0/s1
| Molecular Formula | C4H6O6 |
| Molecular Weight | 150.0868 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C28H22F3N7O |
| Molecular Weight | 529.5158 |
| 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 19:03:59 UTC 2023
by
admin
on
Sat Dec 16 19:03:59 UTC 2023
|
| Record UNII |
8URQ2WD9KN
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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2691107-84-1
Created by
admin on Sat Dec 16 19:04:00 UTC 2023 , Edited by admin on Sat Dec 16 19:04:00 UTC 2023
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PRIMARY | |||
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8URQ2WD9KN
Created by
admin on Sat Dec 16 19:04:00 UTC 2023 , Edited by admin on Sat Dec 16 19:04:00 UTC 2023
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PRIMARY | |||
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166451396
Created by
admin on Sat Dec 16 19:04:00 UTC 2023 , Edited by admin on Sat Dec 16 19:04:00 UTC 2023
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PRIMARY |
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ACTIVE MOIETY |
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