Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H12N2O5.Na.H |
| Molecular Weight | 288.2318 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[Na+].NC1=CC=C(C=C1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
InChI
InChIKey=QTFDQUUWYNVHIJ-FVGYRXGTSA-M
InChI=1S/C12H14N2O5.Na/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16;/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19);/q;+1/p-1/t9-;/m0./s1
| 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 |
| Molecular Formula | H |
| Molecular Weight | 1.0079 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H12N2O5 |
| Molecular Weight | 264.2341 |
| Charge | -2 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:17:48 GMT 2023
by
admin
on
Sat Dec 16 08:17:48 GMT 2023
|
| Record UNII |
GFI92QDR2K
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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67671375
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GFI92QDR2K
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admin on Sat Dec 16 08:17:48 GMT 2023 , Edited by admin on Sat Dec 16 08:17:48 GMT 2023
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100000087384
Created by
admin on Sat Dec 16 08:17:48 GMT 2023 , Edited by admin on Sat Dec 16 08:17:48 GMT 2023
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