Details
Stereochemistry | ACHIRAL |
Molecular Formula | C17H19O6.Na |
Molecular Weight | 342.3189 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC([O-])=O
InChI
InChIKey=DOZYTHNHLLSNIK-JOKMOOFLSA-M
InChI=1S/C17H20O6.Na/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3;/h4,20H,5-8H2,1-3H3,(H,18,19);/q;+1/p-1/b9-4+;
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 | C17H19O6 |
Molecular Weight | 319.3292 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:36:50 UTC 2023
by
admin
on
Fri Dec 15 15:36:50 UTC 2023
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Record UNII |
WX877SQI1G
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C2087
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NCI_THESAURUS |
C574
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admin on Fri Dec 15 15:36:50 UTC 2023 , Edited by admin on Fri Dec 15 15:36:50 UTC 2023
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Code System | Code | Type | Description | ||
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408142
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PRIMARY | RxNorm | ||
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CHEMBL866
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WX877SQI1G
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NN-77
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116072
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1448989
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23288-62-2
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NON-SPECIFIC STEREOCHEMISTRY | |||
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37415-62-6
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DBSALT001740
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C66215
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m7682
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PRIMARY | Merck Index | ||
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C063008
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WX877SQI1G
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SUB16447MIG
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100000089520
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23665584
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67155
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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 (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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