Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H24FN3O4.2H2O |
Molecular Weight | 425.4512 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.CNC1CCCN(C1)C2=C(OC)C3=C(C=C2F)C(=O)C(=CN3C4CC4)C(O)=O
InChI
InChIKey=WEGNYJXOCPJAPS-UHFFFAOYSA-N
InChI=1S/C20H24FN3O4.2H2O/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27;;/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27);2*1H2
Molecular Formula | C20H24FN3O4 |
Molecular Weight | 389.4207 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
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 06:16:54 UTC 2023
by
admin
on
Sat Dec 16 06:16:54 UTC 2023
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Record UNII |
SH1AVB6TVK
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Record Status |
Validated (UNII)
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Record Version |
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-
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6918202
Created by
admin on Sat Dec 16 06:16:54 UTC 2023 , Edited by admin on Sat Dec 16 06:16:54 UTC 2023
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SH1AVB6TVK
Created by
admin on Sat Dec 16 06:16:54 UTC 2023 , Edited by admin on Sat Dec 16 06:16:54 UTC 2023
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151060-21-8
Created by
admin on Sat Dec 16 06:16:54 UTC 2023 , Edited by admin on Sat Dec 16 06:16:54 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE |
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |