Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C19H22F2N4O3.C3H6O3 |
| Molecular Weight | 482.4777 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)C(O)=O.C[C@H]1CN(C[C@@H](C)N1)C2=C(F)C(N)=C3C(=O)C(=CN(C4CC4)C3=C2F)C(O)=O
InChI
InChIKey=ATVSJRVYWSYEGL-UFIFRZAQSA-N
InChI=1S/C19H22F2N4O3.C3H6O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28;1-2(4)3(5)6/h7-10,23H,3-6,22H2,1-2H3,(H,27,28);2,4H,1H3,(H,5,6)/t8-,9+;
| Molecular Formula | C3H6O3 |
| Molecular Weight | 90.0779 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | C19H22F2N4O3 |
| Molecular Weight | 392.3998 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:15:07 UTC 2023
by
admin
on
Sat Dec 16 19:15:07 UTC 2023
|
| Record UNII |
X4996GE5E2
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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X4996GE5E2
Created by
admin on Sat Dec 16 19:15:08 UTC 2023 , Edited by admin on Sat Dec 16 19:15:08 UTC 2023
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46190847
Created by
admin on Sat Dec 16 19:15:08 UTC 2023 , Edited by admin on Sat Dec 16 19:15:08 UTC 2023
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1362654-16-7
Created by
admin on Sat Dec 16 19:15:08 UTC 2023 , Edited by admin on Sat Dec 16 19:15:08 UTC 2023
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PRIMARY |
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