Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H24NO8S.Na |
Molecular Weight | 473.472 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(NCC([O-])=O)=C2)C(OC)=C1
InChI
InChIKey=VLQLUZFVFXYXQE-USRGLUTNSA-M
InChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;
Molecular Formula | C21H24NO8S |
Molecular Weight | 450.482 |
Charge | -1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
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
Fri Dec 15 15:56:22 UTC 2023
by
admin
on
Fri Dec 15 15:56:22 UTC 2023
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Record UNII |
406FL5G00V
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Record Status |
Validated (UNII)
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Record Version |
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-
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EU-Orphan Drug |
EU/3/12/987
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NCI_THESAURUS |
C129825
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admin on Fri Dec 15 15:56:22 UTC 2023 , Edited by admin on Fri Dec 15 15:56:22 UTC 2023
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NCI_THESAURUS |
C61074
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DBSALT002144
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592542-60-4
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23696523
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XX-90
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SUB33852
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DTXSID10974682
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CHEMBL1241855
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C71355
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406FL5G00V
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145421
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100000145002
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SUB122629
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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 |