Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C19H16F2N3O5.Na |
Molecular Weight | 427.334 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C([O-])=C3C(=O)N1[C@@H](C)CO2
InChI
InChIKey=AEZBWGMXBKPGFP-KIUAEZIZSA-M
InChI=1S/C19H17F2N3O5.Na/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21;/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27);/q;+1/p-1/t9-,14+;/m0./s1
Molecular Formula | C19H16F2N3O5 |
Molecular Weight | 404.3442 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
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 09:46:38 UTC 2023
by
admin
on
Sat Dec 16 09:46:38 UTC 2023
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Record UNII |
3L12PT535M
|
Record Status |
Validated (UNII)
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Record Version |
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-
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3L12PT535M
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C166681
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DBSALT002064
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CHEMBL2403238
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100000183873
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46215800
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3L12PT535M
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AB-85
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2475076
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1051375-13-3
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172948
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |