Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C17H19F2N3O3.C4H7NO4 |
| Molecular Weight | 484.4505 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
N[C@@H](CC(O)=O)C(O)=O.CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N3CCNC(C)C3)C(F)=C12
InChI
InChIKey=YCOJCBAVYZZKRS-WNQIDUERSA-N
InChI=1S/C17H19F2N3O3.C4H7NO4/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;5-2(4(8)9)1-3(6)7/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);2H,1,5H2,(H,6,7)(H,8,9)/t;2-/m.0/s1
| Molecular Formula | C4H7NO4 |
| Molecular Weight | 133.1027 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C17H19F2N3O3 |
| Molecular Weight | 351.3479 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:08:38 UTC 2023
by
admin
on
Sat Dec 16 16:08:38 UTC 2023
|
| Record UNII |
HE2R4UA5ST
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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46911850
Created by
admin on Sat Dec 16 16:08:39 UTC 2023 , Edited by admin on Sat Dec 16 16:08:39 UTC 2023
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DTXSID60677252
Created by
admin on Sat Dec 16 16:08:39 UTC 2023 , Edited by admin on Sat Dec 16 16:08:39 UTC 2023
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HE2R4UA5ST
Created by
admin on Sat Dec 16 16:08:39 UTC 2023 , Edited by admin on Sat Dec 16 16:08:39 UTC 2023
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211690-33-4
Created by
admin on Sat Dec 16 16:08:39 UTC 2023 , Edited by admin on Sat Dec 16 16:08:39 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |
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