Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C8H8NO5.K |
Molecular Weight | 237.2511 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[K+].[H][C@@]12CC(=O)N1[C@@H](C([O-])=O)\C(O2)=C\CO
InChI
InChIKey=ABVRVIZBZKUTMK-JSYANWSFSA-M
InChI=1S/C8H9NO5.K/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4;/h1,6-7,10H,2-3H2,(H,12,13);/q;+1/p-1/b4-1-;/t6-,7-;/m1./s1
Molecular Formula | K |
Molecular Weight | 39.0983 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C8H8NO5 |
Molecular Weight | 198.1528 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:17:43 UTC 2023
by
admin
on
Fri Dec 15 15:17:43 UTC 2023
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Record UNII |
Q42OMW3AT8
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Record Status |
Validated (UNII)
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Record Version |
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-
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CFR |
21 CFR 520.88G
Created by
admin on Fri Dec 15 15:17:43 UTC 2023 , Edited by admin on Fri Dec 15 15:17:43 UTC 2023
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NCI_THESAURUS |
C260
Created by
admin on Fri Dec 15 15:17:43 UTC 2023 , Edited by admin on Fri Dec 15 15:17:43 UTC 2023
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CFR |
21 CFR 520.88H
Created by
admin on Fri Dec 15 15:17:43 UTC 2023 , Edited by admin on Fri Dec 15 15:17:43 UTC 2023
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Q42OMW3AT8
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DTXSID60210067
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SUB12232MIG
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100000093061
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85264
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Q42OMW3AT8
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262-640-9
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X-55
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23665591
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CHEMBL777
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61177-45-5
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DBSALT001302
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831418
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C47453
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admin on Fri Dec 15 15:17:43 UTC 2023 , Edited by admin on Fri Dec 15 15:17:43 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (GC)
USP
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IMPURITY -> PARENT |
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ACTIVE MOIETY |
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